data_1whw_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 1whw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.09 141.69 43.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.63 136.29 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 13.6 t80 -89.33 113.98 25.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.56 146.35 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -147.34 174.36 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t30 70.67 54.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.29 126.06 46.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -65.25 132.67 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.23 -10.58 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 p -85.22 -9.86 57.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 t -82.34 150.41 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' GLU . 43.6 m -119.07 142.03 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' SER . 27.2 tt0 -34.78 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.6 tt0 -71.85 -52.65 16.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -44.4 -45.75 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.521 HD11 ' CE1' ' A' ' 69' ' ' TYR . 61.5 mt -63.77 -48.61 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.5 mt-10 -45.05 -45.69 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -71.54 -42.33 68.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.07 -51.32 58.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 51.4 m-85 -79.93 -51.41 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 14.4 t -34.97 -48.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.95 -54.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -56.99 -38.28 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' SER . . . 174.76 -173.69 46.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.9 26.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.7 mt -94.93 123.67 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 87' ' ' MET . 0.7 OUTLIER -69.57 -41.55 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -165.52 142.84 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -117.87 141.36 48.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -128.21 104.75 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' A' ' 54' ' ' LEU . 1.8 t80 -120.52 93.58 48.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.76 139.57 40.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 78' ' ' PRO . 7.1 mm -139.61 127.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.19 133.38 39.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -76.63 -2.0 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -105.69 -61.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.1 p -80.72 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 29.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -132.3 152.07 79.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.429 ' N ' HD11 ' A' ' 71' ' ' ILE . 53.3 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 79' ' ' LYS . 3.9 mptt -95.45 3.01 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.51 29.16 17.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.03 151.53 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.43 166.06 34.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 40.6 m-85 -123.34 119.13 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.552 ' CG2' ' CE2' ' A' ' 58' ' ' PHE . 95.1 t -105.3 128.85 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -113.43 108.75 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -86.0 143.23 28.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.438 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -64.28 -46.95 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -112.15 146.05 34.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.7 12.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -49.78 -48.14 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -69.13 -47.57 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.51 -36.92 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.04 -48.81 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -54.6 -39.31 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.85 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 6.1 t80 -64.7 -18.27 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.69 -32.77 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -94.14 -56.6 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' GLY . 88.3 t -52.68 -52.0 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.27 85.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.21 27.25 1.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -113.19 167.73 10.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.71 134.68 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -143.82 116.65 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 61.69 31.84 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.29 32.88 59.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -142.84 112.62 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.4 mtp -63.03 114.56 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.7 mt -79.23 129.85 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -114.8 125.19 53.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' A' ' 99' ' ' VAL . 12.1 t -119.58 132.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -132.32 148.31 69.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 125.87 12.68 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -81.3 145.51 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -146.8 160.1 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -108.54 131.81 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.4 t -132.66 132.94 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -133.42 176.96 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.579 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.2 t30 70.07 51.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.78 130.43 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 p -74.18 121.78 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.46 -23.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.3 p -65.9 -40.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.0 m -69.74 146.09 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -113.94 158.51 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -43.64 -44.63 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.39 -47.94 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.74 -49.92 64.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 69' ' ' TYR . 50.2 mt -55.35 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.4 mt-10 -44.54 -51.31 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -67.73 -46.73 71.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 tp -46.59 -62.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.94 -48.52 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.9 t -38.21 -44.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.73 -51.67 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -60.37 -45.73 92.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.99 -173.48 39.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.24 44.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.7 121.67 42.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 85' ' ' THR . 31.0 t -72.64 -44.14 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -161.28 145.02 13.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 tp -124.52 148.23 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -136.77 105.37 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD11 ' A' ' 54' ' ' LEU . 3.2 t80 -115.82 93.62 38.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.696 0.76 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.82 137.74 35.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 8.9 mm -143.8 127.24 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.62 143.94 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t -86.18 -11.1 53.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -99.98 -56.64 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 p -82.1 -11.3 58.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.34 31.48 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' C ' HG23 ' A' ' 71' ' ' ILE . 66.3 mttt -137.25 148.53 62.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.82 163.37 38.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.339 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.18 -1.52 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 36.44 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.9 p90 -156.99 152.22 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.74 174.5 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -128.31 118.63 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.516 HG11 ' CE1' ' A' ' 86' ' ' PHE . 48.8 t -103.9 128.75 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' SER . 90.7 m -120.71 118.79 30.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CE1' HG11 ' A' ' 84' ' ' VAL . 74.8 m-85 -94.71 157.49 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -44.19 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -113.34 145.7 33.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -38.77 7.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 12.6 pt-20 -50.44 -43.65 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 17.8 m170 -72.71 -45.88 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.95 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.85 -49.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -53.18 -42.9 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -64.57 -48.67 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -58.29 -20.58 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.44 -37.4 21.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.33 -58.33 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' ALA . 85.6 t -47.81 -57.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.39 15.24 21.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -95.53 149.85 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.2 127.65 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -130.65 100.29 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 69.49 25.94 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.77 32.96 31.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.97 116.95 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.579 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -66.83 99.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.56 118.15 19.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.39 109.74 21.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -98.98 115.45 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.45 ' N ' HD11 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -104.78 144.07 27.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.955 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.48 32.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -81.53 136.68 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -140.93 144.21 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -101.91 131.78 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.7 t -133.0 143.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -144.67 171.79 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' HD3' ' A' ' 107' ' ' ARG . 0.6 OUTLIER 74.81 49.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 54' ' ' LEU . 4.5 mm? -92.56 150.84 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -83.44 115.5 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.4 -44.17 3.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.8 p -56.15 -36.36 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -59.36 148.66 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.1 m -115.55 156.7 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CG ' HD22 ' A' ' 67' ' ' LEU . 26.8 tt0 -41.79 -43.63 3.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -56.97 -52.52 64.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD2' ' CE2' ' A' ' 104' ' ' PHE . 10.3 t0 -46.14 -46.8 17.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 45' ' ' LEU . 28.8 mt -61.29 -51.11 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 59' ' ' SER . 33.8 mt-10 -49.13 -55.98 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -57.7 -48.87 78.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.44 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' SER . 62.8 m-85 -66.5 -58.71 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 42.9 t -34.79 -44.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.82 -49.52 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -62.19 -46.24 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.33 176.8 42.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.23 15.79 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.248 . . . . 0.0 112.393 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.1 163.43 15.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -111.92 -49.15 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.3 tp10 -151.21 144.81 24.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 51' ' ' GLU . 14.3 tp -123.12 148.8 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.406 ' ND1' ' HD3' ' A' ' 70' ' ' PRO . 41.8 t-80 -132.57 101.96 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -116.25 94.23 41.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.67 147.66 63.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mm -143.66 142.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.4 146.89 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -85.37 -8.83 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.56 -54.87 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -83.53 -8.4 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.67 30.67 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -136.8 155.39 76.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.514 0.674 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.38 66.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -20.26 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.63 43.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.7 p90 -163.0 148.4 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.44 164.94 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.93 115.16 20.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.33 135.34 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -124.18 104.42 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.55 154.73 41.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.1 mmt -64.93 -48.82 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 91' ' ' HIS . 81.8 m-85 -110.38 147.53 36.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.692 0.758 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.44 7.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.72 -25.06 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 39.2 m170 -82.3 -44.9 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.18 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.12 -58.72 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -45.34 -43.22 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.06 -48.97 40.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.538 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 1.4 t80 -54.5 -22.68 13.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.21 -41.9 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.57 -58.33 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.455 HG11 ' NE2' ' A' ' 102' ' ' GLN . 57.6 t -44.07 -55.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.73 100.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.08 29.88 7.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.455 ' NE2' HG11 ' A' ' 99' ' ' VAL . 11.7 pt20 -104.72 146.16 29.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.09 130.62 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 8.1 t80 -133.72 106.15 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 61.78 27.6 16.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.54 30.54 26.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HD3' ' ND2' ' A' ' 44' ' ' ASN . 2.9 mmp_? -132.4 113.02 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 tpt -68.83 95.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.62 138.24 50.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -117.35 130.26 56.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.44 HG23 ' CG1' ' A' ' 99' ' ' VAL . 12.0 t -121.0 133.55 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.7 mt -135.8 143.62 45.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.62 14.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -92.69 135.83 33.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.84 136.51 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 15.1 t80 -95.09 129.56 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.62 132.98 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -132.38 175.47 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 47.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.445 ' CD1' HD21 ' A' ' 54' ' ' LEU . 3.3 mm? -85.26 141.87 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 107' ' ' ARG . 1.1 t -81.33 130.43 35.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -62.02 -19.25 62.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.979 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.7 p -81.92 -11.76 58.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.3 m -83.18 154.97 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.6 m -119.27 154.26 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -50.83 -38.01 46.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.94 -44.3 94.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 69' ' ' TYR . 15.5 mt -58.65 -52.47 65.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' SER . 48.4 mt-10 -45.66 -56.51 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -60.16 -51.95 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 tp -40.36 -68.06 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CD2' HG22 ' A' ' 84' ' ' VAL . 65.5 m-85 -65.24 -48.82 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 28.3 t -38.45 -46.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.02 -44.72 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.72 177.45 42.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.47 3.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.78 140.61 51.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.2 t -94.82 -32.45 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.06 143.87 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 tp -123.62 146.68 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.83 101.26 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.7 t80 -114.67 93.61 33.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.677 0.751 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.73 142.21 47.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.1 mm -143.37 131.26 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.72 147.84 31.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.8 m -91.14 -6.43 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -106.13 -48.61 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -91.34 -9.31 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER 53.07 25.08 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -129.27 147.03 63.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -4.18 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.22 4.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.6 p90 -159.63 152.66 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.85 172.62 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 22.4 m-85 -135.95 117.3 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 58' ' ' PHE . 60.7 t -107.07 140.12 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 m -124.71 106.05 9.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -73.8 150.46 41.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.2 mtp -68.11 -42.08 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -111.99 144.05 29.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.57 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.616 ' CD ' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -55.45 -25.14 34.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CD2' ' CD ' ' A' ' 90' ' ' GLU . 54.9 m170 -85.36 -29.42 24.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.43 -34.91 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -54.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.07 -39.0 63.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.44 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.0 t80 -69.57 -20.24 63.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.14 -25.01 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.0 t -51.27 -55.94 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 10.9 p-10 -44.25 96.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.9 31.41 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -118.79 136.23 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.75 124.23 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -124.65 103.96 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 64.17 30.45 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.52 57.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 46' ' ' SER . 6.2 mmt180 -128.38 115.71 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.9 98.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.68 123.39 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -109.39 125.29 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.81 136.19 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 14.2 tp -134.59 138.59 30.31 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.7 Cg_endo -69.75 126.19 13.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.312 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -78.99 135.15 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.3 mt -133.66 145.32 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.412 ' C ' HG22 ' A' ' 42' ' ' VAL . 14.0 t80 -94.41 131.55 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 41' ' ' PHE . 14.2 t -133.33 147.17 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -148.95 179.66 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 t30 65.3 52.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mm? -99.86 118.02 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -51.27 126.04 15.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.07 -29.19 57.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.8 p -64.71 -17.68 64.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -85.11 152.99 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.55 163.04 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CG ' HD22 ' A' ' 67' ' ' LEU . 13.4 tt0 -46.93 -33.2 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.88 -60.0 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.87 -49.19 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 69' ' ' TYR . 59.5 mt -54.66 -63.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' SER . 84.4 mt-10 -36.57 -54.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.46 -56.89 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 tp -38.24 -66.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.9 m-85 -66.05 -58.08 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 29.7 t -35.54 -35.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -49.09 -49.41 41.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -61.36 -39.46 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.44 179.51 45.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.5 14.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -86.31 165.67 16.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -117.89 -42.52 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.9 tt0 -157.48 145.94 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 51' ' ' GLU . 20.4 tp -127.93 147.14 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -132.42 104.5 6.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 54' ' ' LEU . 2.2 t80 -117.25 93.5 42.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.75 140.66 43.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.3 mm -138.7 127.13 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -59.5 128.58 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.0 m -76.52 2.68 13.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.9 mt -104.9 -56.19 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -90.27 -13.55 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt 64.78 29.61 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -138.67 147.92 56.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 136.58 33.46 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -65.87 -30.1 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.2 46.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 8.1 p90 -163.03 147.18 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.45 157.52 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -111.15 118.54 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.33 129.46 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -117.35 109.05 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.73 149.75 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.474 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -64.42 -48.82 73.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -111.37 149.43 40.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 17.1 pt-20 -48.29 -46.28 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 19.2 m170 -65.54 -44.67 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.55 -17.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.3 t -81.93 -46.35 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -59.33 -50.98 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.91 -41.24 70.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.09 -27.9 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.36 -54.52 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 87.1 t -51.74 -55.06 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -55.07 82.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 127.03 22.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -115.73 159.15 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.6 t -109.13 134.84 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -127.86 120.02 26.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 45.36 36.28 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.71 31.12 41.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -139.94 111.65 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 mtp -63.18 118.1 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 45' ' ' LEU . 72.4 mt -86.09 125.76 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -110.93 130.43 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.433 ' CG2' HG11 ' A' ' 99' ' ' VAL . 8.5 t -126.84 130.4 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -127.81 143.94 49.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.3 22.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.818 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -76.62 129.17 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.12 139.67 53.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -90.43 116.11 28.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.22 131.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -132.77 175.41 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 108' ' ' MET . 1.9 t30 74.8 55.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD13 ' CD2' ' A' ' 54' ' ' LEU . 4.6 mm? -99.23 122.55 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.46 126.9 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -51.79 -27.05 11.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 m -67.35 152.57 45.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 166.21 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.81 -48.35 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.08 -51.08 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -46.61 -55.69 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.4 ' CD2' HD13 ' A' ' 45' ' ' LEU . 38.7 mt -52.27 -53.45 43.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' SER . 49.1 mt-10 -41.78 -53.86 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -62.55 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.7 tp -36.37 -68.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.62 -49.81 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.9 t -39.06 -41.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.33 -46.19 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.52 -39.0 91.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.14 44.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HB2' ' CE ' ' A' ' 87' ' ' MET . 54.4 Cg_endo -69.68 151.67 69.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.731 2.287 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.35 124.21 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 t -74.03 -37.46 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -170.14 144.23 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 tp -120.68 142.65 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -131.55 111.1 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -122.79 93.91 47.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.77 48.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mm -143.96 129.04 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.416 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 4.7 m-20 -54.84 145.33 20.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.1 p -88.6 -13.38 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.68 -51.99 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 p -82.08 -25.09 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm 69.43 35.52 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -145.55 154.67 52.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.75 69.42 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.389 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 8.9 mptt -79.39 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.22 31.32 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 2.6 p90 -157.59 157.08 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.89 176.25 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -132.36 112.99 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 86' ' ' PHE . 88.9 t -108.15 126.52 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.33 136.0 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.446 ' CE1' HG13 ' A' ' 84' ' ' VAL . 30.2 m-85 -110.45 146.11 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 63' ' ' PRO . 10.9 mtm -66.66 -45.61 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -106.56 141.52 22.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.36 2.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.0 pt-20 -46.28 -49.28 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.44 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 18.0 m170 -68.93 -44.57 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.21 -27.62 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.2 t -77.76 -54.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -47.78 -42.98 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.2 -42.91 79.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.3 t80 -65.68 -23.08 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -31.72 31.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.48 -58.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' HG21 ' A' ' 111' ' ' VAL . 94.0 t -44.47 -48.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.72 96.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.39 30.24 4.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -115.31 155.87 26.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -102.67 134.71 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.67 100.27 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 62.34 45.16 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.09 25.4 75.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -135.5 111.66 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 9.0 mtp -67.21 116.55 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 mt -85.92 123.81 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -106.51 117.99 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 99' ' ' VAL . 13.8 t -108.47 137.65 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.459 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -135.82 138.01 26.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.5 Cg_endo -69.77 130.83 20.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.868 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.72 132.63 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -139.25 132.04 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -91.34 126.93 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -130.29 144.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 22.6 ptt180 -140.92 175.47 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.8 t30 72.45 50.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 54' ' ' LEU . 4.3 mm? -92.28 134.68 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 p -72.72 129.11 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.86 -31.57 50.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -68.12 -22.14 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -72.12 150.79 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -123.63 159.61 28.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -47.11 -32.63 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.91 -60.69 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -42.42 -48.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 69' ' ' TYR . 49.1 mt -62.11 -56.98 13.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -38.61 -55.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 3.6 mptp? -59.66 -57.66 11.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LYS . 30.8 tp -36.07 -64.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' SER . 94.5 m-85 -66.43 -52.69 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' PHE . 3.3 t -36.98 -46.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -50.46 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -60.43 -40.46 91.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.69 -179.9 45.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 129.97 18.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.94 133.37 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.4 t -86.04 -35.58 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -170.56 139.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.3 tp -117.65 144.72 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -129.12 101.1 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.558 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.5 t80 -114.43 93.57 32.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.916 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.11 39.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.83 140.82 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.58 143.31 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 t -84.12 -7.9 59.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.72 -59.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -76.08 -17.16 59.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 61.46 32.37 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -142.66 151.24 56.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 140.53 42.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.392 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -67.23 -16.49 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.8 43.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -161.78 149.21 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.36 171.33 19.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -129.44 118.91 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.1 t -104.93 119.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -110.65 117.01 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -89.39 161.42 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.0 mtt -76.98 -43.1 36.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -114.99 149.26 42.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.83 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.4 pt-20 -44.18 -51.51 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.545 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 14.3 m170 -67.5 -42.86 82.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.23 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.78 -46.46 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -54.58 -47.23 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.09 69.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.415 ' CE1' ' HD3' ' A' ' 113' ' ' PRO . 5.5 t80 -56.34 -20.44 19.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.02 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -93.68 -59.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 46.6 t -47.35 -56.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -48.68 92.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 113.32 21.07 5.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -111.62 146.15 37.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.86 126.48 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -123.47 96.42 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 72.16 28.46 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.59 23.16 56.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -122.87 116.52 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.431 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -68.17 94.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -70.41 135.73 48.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 12.8 m170 -120.01 112.22 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.17 128.38 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.417 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 10.9 tp -126.4 138.48 32.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 54.1 Cg_endo -69.77 138.62 38.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -79.15 145.27 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -138.39 151.05 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 18.1 t80 -105.46 109.71 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 t -111.86 131.97 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -133.61 173.45 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 72.68 52.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 54' ' ' LEU . 4.3 mm? -96.87 138.75 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 p -79.79 124.7 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -47.11 -40.72 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -53.37 -31.93 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 m -68.57 144.47 54.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.6 m -112.12 147.34 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' HD23 ' A' ' 67' ' ' LEU . 37.0 tt0 -34.57 -36.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' SER . 40.0 tt0 -65.13 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLU . 11.2 t0 -35.06 -38.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 45' ' ' LEU . 20.8 mt -64.82 -55.4 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 59' ' ' SER . 23.6 mt-10 -54.04 -46.46 71.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.66 -27.98 69.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -75.03 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CE2' HG23 ' A' ' 84' ' ' VAL . 49.8 m-85 -65.89 -52.09 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 38.9 t -41.04 -29.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.27 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.24 -21.19 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.54 -173.81 38.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.88 58.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -104.19 163.87 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.426 ' CB ' ' HE2' ' A' ' 87' ' ' MET . 11.0 t -115.41 -45.7 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.52 147.42 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 51' ' ' GLU . 12.3 tp -125.38 142.41 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 8.9 t-80 -130.72 100.98 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -113.31 93.98 29.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.718 0.771 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.56 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.76 137.48 35.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 78' ' ' PRO . 7.1 mm -140.58 132.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.7 147.52 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -84.63 -16.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.69 -59.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.0 p -75.18 -17.2 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 59.15 28.05 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.423 ' C ' HG21 ' A' ' 71' ' ' ILE . 25.6 mtpp -133.69 155.64 80.26 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.426 ' N ' HD13 ' A' ' 71' ' ' ILE . 53.1 Cg_endo -69.86 162.54 41.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -89.82 -13.34 36.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 33.38 2.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 4.2 p90 -162.94 158.49 22.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.84 175.59 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 56.7 m-85 -128.74 120.33 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.561 HG23 ' CE2' ' A' ' 58' ' ' PHE . 39.1 t -111.67 129.09 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 m -116.55 104.03 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -71.71 160.77 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.426 ' HE2' ' CB ' ' A' ' 65' ' ' SER . 2.1 mmt -69.33 -48.39 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -110.24 147.98 37.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -33.58 16.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 91' ' ' HIS . 18.1 pt-20 -61.14 -47.04 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 90' ' ' GLU . 27.0 m170 -63.09 -48.31 79.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.1 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.56 -48.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.6 -49.7 76.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -60.65 -19.96 59.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.23 -35.08 20.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.01 -58.84 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 59.8 t -47.59 -52.26 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.63 88.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.09 23.42 2.45 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.76 153.51 28.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -96.8 141.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -133.76 108.51 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 52.77 28.62 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.21 32.26 12.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -136.5 123.12 20.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.23 97.85 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.54 124.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 9.3 m170 -109.06 111.2 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.91 138.25 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.05 135.1 14.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 96' ' ' TYR . 54.1 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.39 138.63 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.22 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.05 139.0 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -139.76 -178.64 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 108' ' ' MET . 5.0 t30 67.72 50.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.37 132.57 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -70.54 115.97 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -44.37 -25.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.0 p -67.71 -40.26 84.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 153.04 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -118.08 158.16 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -42.65 -40.71 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.12 -56.91 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.9 -46.68 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 69' ' ' TYR . 32.9 mt -59.76 -51.83 68.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' SER . 17.4 mt-10 -44.27 -57.61 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 7.1 mptt -59.31 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -39.67 -66.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' SER . 59.9 m-85 -66.14 -53.39 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 18.0 t -35.52 -39.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.21 8.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.53 45.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.11 29.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 mt -96.0 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 t -92.79 -46.99 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -154.14 145.84 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.2 tp -124.5 148.0 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 6.1 t-80 -135.11 104.64 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' A' ' 54' ' ' LEU . 3.9 t80 -119.14 100.25 50.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.7 Cg_endo -69.73 138.15 37.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.7 mm -140.95 123.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.06 131.84 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -75.97 -1.96 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 35.6 mt -103.91 -55.89 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 p -90.68 -1.58 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER 51.37 27.11 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -131.88 149.85 74.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 151.68 68.69 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -77.1 -12.32 59.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.52 34.23 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 3.2 p90 -155.75 151.03 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.355 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.76 173.98 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -133.16 117.19 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.0 t -105.29 136.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.0 m -124.96 103.23 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -72.73 152.58 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.8 mtp -69.22 -44.31 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.48 144.81 33.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -33.56 16.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 15.6 pt-20 -60.57 -32.29 71.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.544 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 28.7 m170 -81.21 -48.2 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.78 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.3 -50.77 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -53.97 -40.25 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.42 -52.99 18.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 2.1 t80 -53.07 -20.84 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.96 -40.67 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.02 -59.34 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' GLN . 57.4 t -45.03 -63.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' VAL . 2.5 t70 -36.7 95.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.86 20.47 8.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . 8.4 pt20 -103.83 130.22 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 104' ' ' PHE . 67.7 t -79.66 141.95 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 103' ' ' VAL . 20.4 t80 -139.76 105.15 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.45 27.56 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 32.23 14.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -136.49 122.44 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.426 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -72.2 98.09 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.0 mt -73.81 117.9 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.0 138.19 39.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.7 t -130.42 123.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.72 144.13 32.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.43 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 1.3 tmm_? -75.02 137.82 41.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.4 mt -141.45 153.51 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 14.0 t80 -97.77 125.82 42.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.86 141.77 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -141.74 173.62 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.3 t30 73.95 47.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.52 131.16 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 p -75.29 128.69 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.82 -17.4 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 p -77.98 -29.15 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 t -59.34 156.73 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.8 m -122.17 139.81 53.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.433 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt0 -41.51 -26.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 6.0 tm-20 -86.72 -41.2 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.0 t0 -55.52 -35.36 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.28 -57.18 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' SER . 5.7 mm-40 -40.29 -47.07 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -65.19 -45.91 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.0 tp -51.57 -60.45 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -68.66 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.0 t -46.16 -43.85 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.88 -33.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.94 -41.09 30.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 -178.86 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.8 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 54.3 mt -86.26 134.49 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 t -86.2 -43.68 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 tp10 -156.96 149.43 23.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 13.7 tp -120.48 147.15 45.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.451 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 11.6 t-80 -133.61 100.83 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 4.4 t80 -118.42 98.93 51.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.74 136.73 33.79 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.456 HD12 ' CA ' ' A' ' 78' ' ' PRO . 9.7 mm -142.4 126.58 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -52.36 145.82 10.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -85.0 -11.81 54.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.14 -57.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 p -75.75 -20.94 57.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 62.93 32.23 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.42 ' C ' HG23 ' A' ' 71' ' ' ILE . 28.2 mtmm -137.24 153.99 75.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.456 ' CA ' HD12 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.76 152.79 69.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -82.26 -7.43 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.11 34.76 4.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 15.3 p90 -160.03 156.74 27.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.94 169.56 20.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 35.4 m-85 -128.24 119.5 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.55 134.86 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -122.95 111.88 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -85.71 162.17 18.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.36 -47.33 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.99 147.5 34.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.3 -23.77 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.407 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 65.3 m170 -77.9 -37.73 47.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.16 -29.14 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.4 t -68.26 -55.83 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -53.5 -39.53 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -69.94 -49.33 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -61.43 -22.88 65.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.79 -59.12 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ALA . 65.9 t -45.38 -52.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -48.73 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 111.43 32.34 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -117.99 128.86 55.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.94 136.07 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 54.8 t80 -136.37 114.79 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 57.12 26.23 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.39 32.88 18.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -139.42 115.86 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.578 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 5.9 tpt -63.23 96.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 104' ' ' PHE . 60.1 mt -67.58 122.34 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -109.13 131.05 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 99' ' ' VAL . 11.3 t -120.89 133.42 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 112' ' ' LEU . 4.0 mm? -128.63 143.99 50.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.12 15.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.242 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.43 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -119.0 142.27 47.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.405 ' C ' HG22 ' A' ' 42' ' ' VAL . 13.4 t80 -102.62 130.86 49.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 41' ' ' PHE . 13.5 t -133.3 144.82 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 179.09 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 108' ' ' MET . 5.3 t30 67.44 50.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.64 136.01 33.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -73.63 123.83 24.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.55 -20.17 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -72.6 -34.44 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.1 m -72.38 154.87 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -120.58 154.44 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -37.82 -33.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 21.0 tt0 -63.35 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLU . 1.1 m-20 -35.83 -52.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 69' ' ' TYR . 73.5 mt -53.11 -60.71 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' LEU . 67.1 mt-10 -38.47 -53.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -64.5 -59.41 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' LYS . 12.3 tp -36.42 -57.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -69.98 -46.34 65.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -43.0 -37.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.77 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.74 -35.64 72.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.5 -176.68 47.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.35 21.0 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.6 mt -91.26 152.46 20.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -103.45 -44.5 5.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -160.13 148.38 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.5 tp -129.06 142.8 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -127.24 105.06 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.3 t80 -112.61 93.61 24.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 110.959 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.573 ' CG ' ' CE1' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.8 141.9 46.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.416 HG22 ' C ' ' A' ' 77' ' ' LYS . 3.8 mm -140.39 154.29 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.66 131.65 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 t -76.41 2.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -105.28 -59.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p -90.11 -11.66 40.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 62.89 26.76 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' HG22 ' A' ' 71' ' ' ILE . 38.4 mtmt -127.08 148.54 66.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.71 31.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -66.63 -15.8 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.3 38.7 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CE1' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.19 145.13 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.72 167.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.08 120.62 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.27 119.92 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.7 m -109.25 104.43 13.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -76.99 152.31 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -61.56 -46.41 90.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.15 145.96 37.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.33 7.89 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.72 -44.59 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -69.99 -41.61 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.92 66.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.52 -47.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -55.99 -41.49 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.17 81.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.73 -22.21 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.85 -26.36 24.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -99.85 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 90.4 t -53.14 -58.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -39.0 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 112.0 29.77 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.15 156.95 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.29 139.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.79 109.27 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 57.18 27.91 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.14 31.98 33.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 107' ' ' ARG . 3.3 mmp_? -130.01 113.73 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.572 ' SD ' ' CD2' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -64.52 101.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.9 mt -79.95 132.57 36.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.572 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 12.0 m170 -115.53 136.28 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.28 130.12 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 8.3 tp -129.96 139.8 36.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.8 Cg_endo -69.73 130.79 20.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -75.13 135.7 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.9 mt -145.38 132.77 20.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.503 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 26.0 t80 -91.67 129.82 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -130.97 149.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -147.82 171.37 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 108' ' ' MET . 6.0 t30 71.15 54.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.42 106.51 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -42.27 120.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.4 -28.39 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -61.42 -34.67 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -66.26 154.83 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -120.71 159.67 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -39.94 -45.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.33 -49.74 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.9 -31.62 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 69' ' ' TYR . 43.0 mt -77.65 -51.17 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.5 mt-10 -51.93 -53.34 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.08 -59.16 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.503 ' CE2' HG22 ' A' ' 84' ' ' VAL . 69.1 m-85 -70.79 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 12.7 t -37.26 -50.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.8 -44.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -65.18 -41.35 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -170.51 176.69 43.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.6 Cg_endo -69.76 124.21 10.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.9 mt -83.71 161.95 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -119.5 -37.16 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -159.05 146.94 17.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -132.79 144.98 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -133.24 102.47 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.1 t80 -117.01 93.62 42.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 148.33 64.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -139.94 143.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.87 132.4 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -76.08 -6.45 51.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -107.32 -55.16 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -84.63 -5.92 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.5 27.22 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -135.07 151.29 75.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.51 57.62 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -68.36 -20.1 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 42.88 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -162.43 150.98 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.16 161.55 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 12.8 m-85 -117.94 119.27 34.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.503 HG22 ' CE2' ' A' ' 58' ' ' PHE . 61.4 t -102.99 133.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.8 m -121.66 100.87 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.67 153.2 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.33 -39.82 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -119.85 151.82 52.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -46.42 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -54.13 -32.24 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.404 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 47.5 m170 -80.72 -26.9 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.56 -13.29 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -84.42 -47.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -53.65 -46.87 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.57 -50.56 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 4.6 t80 -63.78 -18.19 63.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.64 -36.88 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.4 -56.38 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' ALA . 66.6 t -51.07 -54.02 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -49.67 98.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.12 5.6 13.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.416 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -102.4 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -117.17 135.99 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -125.95 105.15 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 68.22 32.32 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.55 26.08 55.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -134.19 114.21 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.462 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.3 mtp -60.94 116.61 4.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -80.2 122.56 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.65 122.77 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 134.57 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.2 mt -133.45 143.24 47.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.52 10.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.862 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -74.72 139.43 43.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.58 126.58 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -84.89 127.62 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -124.4 142.79 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -140.33 165.69 26.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 6.6 t30 74.96 54.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -97.02 111.36 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -53.96 127.94 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -48.43 -42.97 33.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -53.84 -28.61 36.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 m -69.71 142.93 53.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -113.56 159.4 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.0 -48.03 64.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.59 -48.84 76.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.46 -42.65 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 69' ' ' TYR . 54.8 mt -59.4 -56.93 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -39.51 -55.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -58.67 -45.16 90.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.13 -54.92 37.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.5 m-85 -73.33 -63.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' PHE . 77.4 p -34.39 -37.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -42.41 -52.11 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -59.33 -44.38 92.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.31 -177.65 41.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.48 6.42 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.98 150.26 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.469 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 35.1 t -96.04 -45.67 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' CD ' ' C ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -158.56 153.27 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.98 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -132.47 102.05 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.2 t80 -108.3 93.61 11.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.689 0.756 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.71 136.9 34.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 mm -136.96 140.59 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -72.67 140.54 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 m -86.29 0.45 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.13 -50.85 3.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 p -98.9 1.38 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 3.6 mptt 46.18 26.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -129.84 146.16 60.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 142.1 46.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -70.85 -14.23 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -160.07 148.44 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.06 164.39 30.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.79 118.62 33.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.8 t -108.72 123.61 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 65' ' ' SER . 96.3 m -111.1 138.73 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.441 ' N ' HG22 ' A' ' 85' ' ' THR . 21.5 m-85 -108.27 152.32 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.435 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -72.05 -47.42 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -109.48 143.57 28.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 pm0 -49.15 -31.58 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -81.14 -46.39 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.29 -26.53 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.19 -49.87 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -50.49 -47.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.5 -52.75 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 2.7 t80 -53.45 -21.94 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.04 -38.47 24.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.62 -59.48 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 111' ' ' VAL . 58.8 t -42.68 -59.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -45.15 108.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.51 14.57 32.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 99' ' ' VAL . 12.8 pt20 -97.44 161.04 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.09 133.51 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -135.36 107.91 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 65.42 35.23 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.71 63.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -134.74 112.83 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.438 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.5 mtp -65.46 116.48 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.459 HD13 ' NE2' ' A' ' 102' ' ' GLN . 41.0 mt -87.79 121.34 30.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -104.06 113.07 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 99' ' ' VAL . 12.5 t -105.98 132.39 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt -132.82 143.32 48.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.31 15.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -80.23 150.37 30.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -147.99 137.91 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 13.4 t80 -87.6 121.03 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -119.67 141.99 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -144.99 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.5 t30 71.65 54.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 109' ' ' LEU . 1.3 mm? -104.79 111.13 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.461 ' N ' ' HD2' ' A' ' 107' ' ' ARG . 1.5 t -52.45 133.68 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.13 -25.58 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -65.21 -14.09 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -82.58 145.42 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -118.35 148.3 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.27 -42.23 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.32 -47.11 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.0 -47.58 74.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 69' ' ' TYR . 76.8 mt -61.45 -49.99 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' CG ' HD22 ' A' ' 67' ' ' LEU . 36.2 mt-10 -45.54 -57.78 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 11.9 mptt -57.06 -49.12 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.5 tp -46.62 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -59.16 -36.78 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -51.43 -39.18 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.18 -48.15 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -64.2 -30.54 71.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.76 171.62 40.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.42 6.37 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.1 mt -77.19 125.66 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.3 p -86.52 -27.01 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -169.9 139.18 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.407 HD22 ' CG ' ' A' ' 55' ' ' GLU . 22.7 tp -120.43 147.52 44.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -133.36 101.07 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.3 t80 -116.24 93.73 40.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.418 HG21 ' C ' ' A' ' 77' ' ' LYS . 19.8 mm -140.91 148.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.34 135.73 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 p -78.5 -0.34 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.89 -58.34 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -85.19 -15.04 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 61.53 29.48 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.418 ' C ' HG21 ' A' ' 71' ' ' ILE . 33.5 mttt -132.28 150.99 77.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.406 ' CA ' HD13 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.81 136.8 33.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.389 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -65.89 -26.74 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.63 38.13 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.527 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.525 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 9.5 p90 -162.49 146.01 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.57 167.08 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 34.6 m-85 -124.6 116.98 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 85' ' ' THR . 58.1 t -104.21 140.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.449 ' N ' HG12 ' A' ' 84' ' ' VAL . 36.4 m -127.72 109.01 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.16 137.25 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.5 ttm -55.27 -48.43 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -111.82 143.88 29.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -33.46 16.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.35 -48.01 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.66 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.1 t -78.92 -49.82 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.47 -54.46 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.72 -51.21 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.37 -18.2 48.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.63 -31.28 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.16 -59.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.2 t -48.47 -58.98 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.34 104.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.87 22.56 8.79 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -115.4 163.5 15.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -108.35 139.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.424 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 6.9 t80 -138.04 110.93 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 61.76 28.76 17.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.25 25.19 44.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 46' ' ' SER . 16.8 mtt-85 -134.24 123.0 23.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.598 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 4.1 tpt -68.19 105.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 104' ' ' PHE . 31.3 mt -70.28 124.61 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -112.83 107.28 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 t -102.37 128.47 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -127.7 141.6 41.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.25 37.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -96.07 145.73 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -144.31 126.74 15.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.15 130.51 35.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.49 141.37 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.421 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 9.8 ptp180 -140.83 169.87 16.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.2 t30 74.23 46.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 54' ' ' LEU . 4.3 mm? -86.08 146.7 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.59 127.68 34.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -39.82 66.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -59.99 -14.03 14.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 m -83.2 146.04 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' GLU . 39.9 m -114.99 148.45 38.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -37.66 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -76.58 -47.19 23.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.8 m-20 -49.59 -44.16 46.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.54 HD13 ' CE1' ' A' ' 69' ' ' TYR . 28.1 mt -61.41 -56.42 20.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 59' ' ' SER . 28.2 mt-10 -43.78 -52.11 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -56.79 -32.42 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -76.3 -55.8 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' HG22 ' A' ' 84' ' ' VAL . 40.6 m-85 -71.88 -59.9 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 4.8 t -40.58 -41.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.45 -42.94 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -67.97 -42.32 81.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.02 177.92 42.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 118.6 5.78 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -80.19 129.29 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.2 t -87.75 -28.04 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -168.88 137.25 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -121.58 144.27 48.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 1.7 t-80 -125.05 118.99 27.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.2 t80 -132.23 93.61 25.61 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.641 0.734 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.549 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.8 139.97 41.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.427 ' CG2' ' C ' ' A' ' 76' ' ' LYS . 6.0 mm -142.58 127.93 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.79 131.13 50.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -76.18 2.19 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.04 -55.3 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -95.08 -15.36 23.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 71' ' ' ILE . 21.1 mmtp 67.61 26.05 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -125.36 145.53 51.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.98 64.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -1.3 57.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ASN . . . 91.93 39.43 5.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -158.77 150.31 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' HIS . . . -162.92 175.5 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -132.01 119.16 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 58' ' ' PHE . 17.0 t -104.42 142.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m -133.57 108.82 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -81.94 143.97 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.1 ttm -56.85 -37.36 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.73 147.95 57.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -38.19 -44.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -71.7 -47.78 51.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 -29.72 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.27 -51.02 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.37 -42.39 73.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.36 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -65.59 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.92 -33.53 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.77 -59.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.3 t -42.78 -55.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 9.4 p-10 -50.71 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' HE1' ' A' ' 108' ' ' MET . . . 105.45 24.22 7.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.464 ' N ' ' HE1' ' A' ' 108' ' ' MET . 10.0 pt20 -110.54 152.07 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.9 t -99.44 126.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 105' ' ' GLN . 8.4 t80 -105.86 99.05 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' PHE . 3.6 pt20 48.37 26.61 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.46 29.83 5.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 8.4 mmp_? -133.15 115.46 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.506 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.7 94.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.7 mt -74.0 123.36 24.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 15.9 m170 -106.45 103.25 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.93 139.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -143.95 138.0 14.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.78 130.91 20.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.39 130.04 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.36 131.82 25.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -85.84 125.2 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 t -122.74 141.3 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.84 170.51 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 108' ' ' MET . 3.3 t30 74.74 54.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 54' ' ' LEU . 4.4 mm? -95.69 117.9 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 p -57.23 129.08 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.53 -12.91 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -89.38 0.0 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -93.63 135.81 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' GLU . 16.8 m -102.2 140.13 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' SER . 34.9 tt0 -37.13 -33.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' SER . 50.0 tt0 -66.6 -50.72 62.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 4.4 m-20 -49.98 -52.44 33.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 69' ' ' TYR . 33.6 mt -54.88 -48.83 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' SER . 61.8 mt-10 -46.63 -54.18 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -63.53 -45.7 89.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.72 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.422 ' CE2' HG23 ' A' ' 84' ' ' VAL . 85.9 m-85 -67.57 -44.07 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 25.9 t -46.73 -31.84 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.6 72.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -74.72 -44.03 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.86 169.63 39.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 112.99 3.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt -71.88 136.31 46.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -94.37 -37.97 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -154.3 139.2 17.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 55' ' ' GLU . 13.4 tp -125.25 141.24 52.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -125.96 104.27 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.6 t80 -118.98 93.67 47.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.74 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.443 HD11 ' CA ' ' A' ' 78' ' ' PRO . 23.3 mm -141.36 125.22 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.24 136.39 56.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -81.62 0.14 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 61.9 mt -106.4 -55.12 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -87.41 -12.25 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 60.48 31.97 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -136.45 151.04 72.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' CA ' HD11 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.74 167.41 24.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 0.74 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.97 37.0 7.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -162.98 153.39 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.9 166.32 24.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -119.34 120.49 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.422 HG23 ' CE2' ' A' ' 58' ' ' PHE . 67.8 t -105.29 125.31 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 m -116.42 102.36 9.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -75.63 151.28 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.37 -32.65 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -124.15 146.29 50.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -38.94 6.94 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -52.77 -42.61 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -68.58 -51.4 43.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.83 -41.57 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.64 -50.96 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -60.26 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.66 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.07 -17.73 54.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.66 -25.89 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -100.47 -58.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 101' ' ' GLY . 63.9 t -52.01 -52.26 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -49.14 87.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 114.35 28.69 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.451 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -118.51 150.32 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -96.9 140.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.0 110.16 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 58.33 34.65 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.02 31.27 55.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -141.0 112.15 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.498 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 11.6 mtp -65.63 117.48 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.8 mt -82.5 125.33 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -110.96 120.78 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.4 t -110.8 135.23 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 16.1 tp -130.76 138.26 32.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.62 0.724 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.3 Cg_endo -69.77 126.25 13.08 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.788 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -79.29 140.91 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -145.06 139.52 27.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -86.32 131.74 34.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.1 130.86 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -133.07 166.7 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.478 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 3.5 t-20 74.95 54.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 107.41 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -47.0 124.78 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.801 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.75 -29.84 41.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -67.99 -21.99 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -78.62 151.38 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' ASP . 1.8 m -112.15 172.55 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.12 -34.51 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.66 -57.25 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -46.44 -53.55 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.4 mt -47.18 -54.86 9.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' SER . 46.8 mt-10 -46.11 -53.53 10.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 1.1 mptm? -61.74 -55.22 32.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.1 tp -39.82 -66.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' SER . 80.2 m-85 -65.67 -47.54 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 t -35.76 -41.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.406 ' CD1' ' HA ' ' A' ' 95' ' ' ALA . 87.8 m-85 -59.57 -44.07 93.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.77 171.83 42.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 60.5 mt -68.11 129.57 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t -87.71 -35.53 17.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -161.58 148.69 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 tp -130.6 143.98 51.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -129.6 100.97 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.91 93.64 38.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.721 0.772 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.78 137.91 36.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.4 mm -138.77 129.35 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.39 125.01 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -71.39 -1.72 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.3 -55.54 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 p -91.03 -3.54 57.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 51.22 34.32 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -138.08 150.95 68.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.43 45.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -89.58 -4.56 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.36 38.42 4.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 4.3 p90 -162.57 153.23 17.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.02 167.16 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -124.76 117.58 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.6 t -103.23 134.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.3 m -122.22 112.6 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -86.34 138.44 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 23.1 ttm -51.29 -48.36 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 87' ' ' MET . 34.6 m-85 -114.97 149.82 43.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.96 8.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.754 2.303 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 10.3 pt-20 -48.67 -48.51 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.545 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 15.3 m170 -70.64 -50.49 36.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.56 -31.96 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 83.8 t -73.85 -44.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -57.94 -41.28 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . . . -66.28 -43.33 86.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.41 -21.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.86 28.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -98.06 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLY . 94.6 t -47.9 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 99' ' ' VAL . 25.6 t0 -34.44 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.19 11.42 9.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . 3.1 pt20 -94.57 165.3 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.5 t -118.12 132.86 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -129.95 111.32 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 60.16 40.84 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.46 73.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -130.5 111.68 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 44.7 mmm -61.46 124.67 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -97.28 122.1 39.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.421 ' CD2' ' N ' ' A' ' 110' ' ' HIS . 6.6 m170 -108.13 99.53 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.07 124.54 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.53 144.76 33.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.42 17.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 2.0 tmm_? -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 mt -145.4 164.58 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -117.63 117.29 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.2 146.39 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt-85 -148.07 178.27 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.15 41.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 54' ' ' LEU . 1.6 mm? -87.84 130.23 34.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.99 120.61 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -45.8 -45.07 14.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.7 p -51.4 -34.6 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.5 m -64.27 151.25 44.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 m -116.33 162.98 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.63 -44.4 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.69 -38.5 75.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.05 -42.15 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 45' ' ' LEU . 63.9 mt -64.86 -53.9 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.0 mt-10 -38.61 -56.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -59.59 -55.44 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.76 -67.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE2' HG23 ' A' ' 84' ' ' VAL . 76.4 m-85 -62.94 -54.04 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 9.1 t -35.82 -44.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.22 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -59.68 -44.55 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.86 41.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.88 34.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.17 128.87 44.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -81.83 -43.06 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.0 tp10 -155.44 155.35 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 18.9 tp -136.04 144.54 45.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -138.68 108.12 6.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -125.67 93.49 44.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.79 144.18 53.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mm -139.12 128.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.39 140.9 32.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -84.23 -11.12 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.45 -54.48 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -80.71 -23.78 39.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt 68.59 30.56 5.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -139.66 153.65 70.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.13 61.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -84.02 -6.49 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.63 39.26 4.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 11.2 p90 -160.7 145.55 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.3 173.59 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -127.33 108.79 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.491 HG23 ' CE2' ' A' ' 58' ' ' PHE . 30.7 t -102.8 118.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -117.06 108.37 15.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLY . 88.7 m-85 -77.25 161.16 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.83 -44.61 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -117.3 142.16 29.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.81 31.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 16.4 pt-20 -65.2 -46.52 80.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 36.6 m170 -68.3 -44.85 74.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.47 -34.8 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.93 -49.44 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -50.52 -45.32 56.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.54 -53.55 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.488 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 2.9 t80 -54.7 -22.14 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.83 -39.17 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.64 -59.96 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.446 HG13 ' NE2' ' A' ' 102' ' ' GLN . 93.3 t -44.95 -56.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.186 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -44.85 97.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.95 22.68 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.446 ' NE2' HG13 ' A' ' 99' ' ' VAL . 10.8 pt20 -108.82 155.0 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -101.46 134.66 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -132.41 100.02 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 63.84 37.93 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.52 30.78 61.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -129.47 114.78 16.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 96.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.48 133.57 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.87 112.86 19.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 99' ' ' VAL . 13.4 t -106.27 138.24 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.43 143.7 39.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.476 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' CB ' ' A' ' 39' ' ' ARG . 1.5 ttp-105 -85.14 150.28 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -141.98 146.04 35.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 35.9 t80 -95.15 122.09 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.08 142.87 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -141.97 177.91 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 108' ' ' MET . 4.2 t30 68.58 53.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.29 121.04 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -66.99 127.66 33.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -48.68 -35.96 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -57.79 -31.88 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 m -73.37 143.83 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -114.85 155.92 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -42.8 -47.48 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.5 -47.49 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.66 -46.79 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 69' ' ' TYR . 39.1 mt -61.9 -46.77 87.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 mt-10 -49.17 -52.68 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -63.52 -53.82 45.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.96 -63.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.536 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.1 m-85 -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.6 t -38.99 -40.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.36 -46.44 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -65.28 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.87 179.69 46.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.18 11.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.412 HD21 ' CE1' ' A' ' 86' ' ' PHE . 72.6 mt -81.64 129.49 34.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 t -81.51 -45.07 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -158.77 136.16 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.0 tp -117.94 141.47 48.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -126.22 102.04 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 54' ' ' LEU . 2.1 t80 -116.88 93.54 41.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.453 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.73 136.92 34.31 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.402 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.421 HG21 ' C ' ' A' ' 77' ' ' LYS . 5.7 mm -139.72 129.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.73 152.27 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -89.41 -19.21 25.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.58 -62.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.0 p -75.92 -20.41 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 35.56 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.421 ' C ' HG21 ' A' ' 71' ' ' ILE . 77.1 mttt -141.05 155.24 68.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.407 ' N ' HD12 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.78 141.34 44.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 25.6 mttt -67.68 -22.55 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.79 34.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 42.4 p90 -159.91 151.9 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.08 176.83 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 32.3 m-85 -135.35 121.73 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.536 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.3 t -105.64 130.65 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.24 110.13 18.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' A' ' 64' ' ' LEU . 13.2 m-85 -87.87 134.38 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.1 ttm -52.36 -49.0 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.45 143.99 27.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -35.5 12.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -63.7 -34.24 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 54.1 m170 -70.87 -40.73 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.06 79.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.54 -50.44 56.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -51.62 -44.43 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.6 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -57.89 -17.8 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.3 -27.44 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.27 -59.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.456 HG13 ' NE2' ' A' ' 102' ' ' GLN . 62.0 t -48.1 -56.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -44.15 96.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.63 21.16 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.456 ' NE2' HG13 ' A' ' 99' ' ' VAL . 8.3 pt20 -109.24 133.26 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 104' ' ' PHE . 86.5 t -84.99 138.49 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.453 ' N ' HG13 ' A' ' 103' ' ' VAL . 21.9 t80 -138.25 111.93 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 59.79 34.15 21.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.8 28.67 56.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.36 111.79 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.6 mtp -63.07 111.06 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.92 125.86 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -107.71 139.78 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.437 ' CG2' HG12 ' A' ' 99' ' ' VAL . 10.3 t -128.44 147.41 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.5 mt -146.79 144.39 20.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 132.44 23.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.815 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -88.82 136.45 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 mt -131.54 160.54 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -105.32 124.52 49.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 t -121.2 146.45 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 5.9 ptp180 -142.96 -176.91 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' MET . 4.2 m120 64.0 39.79 7.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 54' ' ' LEU . 6.4 mt -86.87 112.24 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 p -55.42 131.77 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.62 -24.61 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -71.31 -34.83 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 t -55.19 145.49 21.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m -115.88 150.15 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.6 -33.9 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -70.89 -58.72 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.09 -44.76 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' HD23 ' A' ' 45' ' ' LEU . 31.3 mt -63.61 -53.9 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 59' ' ' SER . 28.1 mt-10 -40.63 -38.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -78.89 -41.62 29.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.47 -57.16 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.509 ' CE2' HG22 ' A' ' 84' ' ' VAL . 89.0 m-85 -74.57 -49.44 21.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 6.1 t -36.48 -37.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.78 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -61.12 -34.31 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.32 177.34 47.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.01 3.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -70.6 140.86 51.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -94.76 -41.91 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -163.6 130.23 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -107.7 148.21 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.423 ' ND1' ' HD3' ' A' ' 70' ' ' PRO . 9.5 t-80 -132.92 100.91 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE2' HD13 ' A' ' 71' ' ' ILE . 5.9 t80 -110.57 97.62 33.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.78 138.14 37.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.488 HD13 ' CE2' ' A' ' 69' ' ' TYR . 10.4 mm -144.4 125.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . 0.41 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 3.8 m-20 -58.53 133.61 55.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -79.98 -4.24 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.36 -56.25 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -89.38 -11.66 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 61.03 29.2 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -135.79 146.98 59.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.46 63.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HE3' ' CG ' ' A' ' 72' ' ' ASP . 6.3 mptt -86.61 -7.61 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.14 3.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -160.29 152.49 20.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . 0.462 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . . . -160.86 178.41 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -131.0 122.8 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.509 HG22 ' CE2' ' A' ' 58' ' ' PHE . 17.6 t -109.86 124.5 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -111.44 102.67 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -77.67 157.78 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 mtp -74.64 -45.19 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -110.91 143.87 29.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -27.07 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 8.6 pt-20 -61.15 -50.85 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 16.9 m170 -64.59 -41.53 96.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.22 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.14 -50.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -50.67 -43.57 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.14 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 5.3 t80 -61.84 -20.95 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.71 -36.77 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -91.35 -58.87 2.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 111' ' ' VAL . 77.6 t -45.8 -61.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -43.15 94.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.01 25.18 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.462 ' N ' ' HE3' ' A' ' 108' ' ' MET . 15.8 pt20 -118.54 145.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.19 142.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -137.37 115.98 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 51.61 30.46 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.74 30.54 35.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -133.51 115.1 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -64.96 100.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -75.4 129.04 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' HIS . . . . . 0.485 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 14.0 m170 -115.7 115.22 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.1 t -104.45 144.85 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.54 151.92 48.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 133.2 25.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -125.49 152.05 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 t -50.99 -54.19 26.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.57 17.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -125.99 142.88 51.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.364 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -69.87 161.01 30.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.98 -67.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.5 p -148.79 136.94 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.7 28.89 6.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.09 141.69 43.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.63 136.29 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 13.6 t80 -89.33 113.98 25.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.56 146.35 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -147.34 174.36 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t30 70.67 54.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -100.29 126.06 46.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -65.25 132.67 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.23 -10.58 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 p -85.22 -9.86 57.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 t -82.34 150.41 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' GLU . 43.6 m -119.07 142.03 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' SER . 27.2 tt0 -34.78 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.6 tt0 -71.85 -52.65 16.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -44.4 -45.75 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.521 HD11 ' CE1' ' A' ' 69' ' ' TYR . 61.5 mt -63.77 -48.61 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.5 mt-10 -45.05 -45.69 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -71.54 -42.33 68.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.07 -51.32 58.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.552 ' CE2' ' CG2' ' A' ' 84' ' ' VAL . 51.4 m-85 -79.93 -51.41 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 14.4 t -34.97 -48.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.95 -54.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -56.99 -38.28 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' SER . . . 174.76 -173.69 46.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.9 26.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.7 mt -94.93 123.67 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 87' ' ' MET . 0.7 OUTLIER -69.57 -41.55 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -165.52 142.84 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -117.87 141.36 48.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -128.21 104.75 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.521 ' CE1' HD11 ' A' ' 54' ' ' LEU . 1.8 t80 -120.52 93.58 48.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.481 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.76 139.57 40.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.429 HD11 ' N ' ' A' ' 78' ' ' PRO . 7.1 mm -139.61 127.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.19 133.38 39.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -76.63 -2.0 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -105.69 -61.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.1 p -80.72 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 29.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.0 pttt -132.3 152.07 79.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.914 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.429 ' N ' HD11 ' A' ' 71' ' ' ILE . 53.3 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 79' ' ' LYS . 3.9 mptt -95.45 3.01 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.51 29.16 17.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.481 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.03 151.53 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.43 166.06 34.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 40.6 m-85 -123.34 119.13 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.552 ' CG2' ' CE2' ' A' ' 58' ' ' PHE . 95.1 t -105.3 128.85 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -113.43 108.75 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -86.0 143.23 28.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.438 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -64.28 -46.95 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -112.15 146.05 34.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.7 12.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -49.78 -48.14 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -69.13 -47.57 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.51 -36.92 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.04 -48.81 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -54.6 -39.31 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.85 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 6.1 t80 -64.7 -18.27 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.69 -32.77 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -94.14 -56.6 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' GLY . 88.3 t -52.68 -52.0 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.27 85.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.21 27.25 1.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -113.19 167.73 10.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.71 134.68 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -143.82 116.65 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 61.69 31.84 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.29 32.88 59.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -142.84 112.62 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.4 mtp -63.03 114.56 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.7 mt -79.23 129.85 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -114.8 125.19 53.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.454 HG23 ' CG1' ' A' ' 99' ' ' VAL . 12.1 t -119.58 132.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -132.32 148.31 69.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 125.87 12.68 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m -136.2 131.01 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 20.9 p -115.36 142.56 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.99 100.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -81.95 50.67 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -153.05 155.3 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -85.93 47.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.84 -34.76 20.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -89.89 101.44 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.455 ' HG3' ' N ' ' A' ' 123' ' ' SER . 20.0 pt20 -55.64 -49.15 73.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.455 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 6.0 m -160.08 164.13 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -125.22 83.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.25 17.09 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.3 m -139.9 118.54 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 t -105.82 157.76 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.06 113.98 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -43.66 140.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.85 -173.32 18.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -144.2 153.45 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t -107.07 -50.79 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.42 44.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.4 p -92.01 127.66 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 41.99 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -81.3 145.51 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -146.8 160.1 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -108.54 131.81 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.4 t -132.66 132.94 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -133.42 176.96 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.579 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.2 t30 70.07 51.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -93.78 130.43 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 p -74.18 121.78 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.46 -23.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.3 p -65.9 -40.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.0 m -69.74 146.09 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -113.94 158.51 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -43.64 -44.63 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.39 -47.94 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.74 -49.92 64.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 69' ' ' TYR . 50.2 mt -55.35 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.4 mt-10 -44.54 -51.31 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.423 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -67.73 -46.73 71.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 tp -46.59 -62.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -68.94 -48.52 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.9 t -38.21 -44.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.73 -51.67 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -60.37 -45.73 92.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.99 -173.48 39.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.24 44.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.7 121.67 42.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.429 ' N ' ' O ' ' A' ' 85' ' ' THR . 31.0 t -72.64 -44.14 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -161.28 145.02 13.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.3 tp -124.52 148.23 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -136.77 105.37 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD11 ' A' ' 54' ' ' LEU . 3.2 t80 -115.82 93.62 38.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.696 0.76 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.438 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.82 137.74 35.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 78' ' ' PRO . 8.9 mm -143.8 127.24 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.62 143.94 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t -86.18 -11.1 53.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -99.98 -56.64 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 p -82.1 -11.3 58.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.34 31.48 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' C ' HG23 ' A' ' 71' ' ' ILE . 66.3 mttt -137.25 148.53 62.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HB3' ' CD1' ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.82 163.37 38.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.339 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.18 -1.52 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 36.44 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.438 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.9 p90 -156.99 152.22 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.74 174.5 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -128.31 118.63 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.516 HG11 ' CE1' ' A' ' 86' ' ' PHE . 48.8 t -103.9 128.75 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.429 ' O ' ' N ' ' A' ' 65' ' ' SER . 90.7 m -120.71 118.79 30.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.516 ' CE1' HG11 ' A' ' 84' ' ' VAL . 74.8 m-85 -94.71 157.49 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -44.19 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -113.34 145.7 33.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -38.77 7.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.534 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 12.6 pt-20 -50.44 -43.65 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.534 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 17.8 m170 -72.71 -45.88 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.95 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.4 t -65.85 -49.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -53.18 -42.9 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -64.57 -48.67 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -58.29 -20.58 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.44 -37.4 21.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.33 -58.33 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.4 ' N ' ' O ' ' A' ' 95' ' ' ALA . 85.6 t -47.81 -57.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.39 15.24 21.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -95.53 149.85 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.2 127.65 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.3 t80 -130.65 100.29 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 69.49 25.94 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.77 32.96 31.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.97 116.95 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.579 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -66.83 99.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 47.1 mt -77.56 118.15 19.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.39 109.74 21.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 18.7 t -98.98 115.45 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.45 ' N ' HD11 ' A' ' 112' ' ' LEU . 0.7 OUTLIER -104.78 144.07 27.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.955 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.48 32.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.5 t -142.66 143.57 32.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.423 ' O ' ' C ' ' A' ' 116' ' ' ILE . 5.3 m -146.86 169.84 18.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 115' ' ' THR . 4.5 mp -35.11 108.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -100.76 59.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -147.25 156.24 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.04 87.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.01 150.26 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.4 p -162.69 154.84 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -82.55 117.07 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.0 m -72.96 -40.27 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.01 144.15 0.81 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 88.51 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.1 m -45.22 -59.32 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -85.96 141.94 29.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' SER . 17.6 m -83.56 111.3 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 75.2 m 36.07 43.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.53 179.74 50.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.2 m -121.98 -48.08 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.915 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 m 53.6 47.43 23.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.16 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 p -81.6 130.55 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.18 41.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -81.53 136.68 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 83.1 mt -140.93 144.21 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -101.91 131.78 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.7 t -133.0 143.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -144.67 171.79 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.429 ' ND2' ' HD3' ' A' ' 107' ' ' ARG . 0.6 OUTLIER 74.81 49.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' CD1' HD22 ' A' ' 54' ' ' LEU . 4.5 mm? -92.56 150.84 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -83.44 115.5 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.4 -44.17 3.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.8 p -56.15 -36.36 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -59.36 148.66 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.1 m -115.55 156.7 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CG ' HD22 ' A' ' 67' ' ' LEU . 26.8 tt0 -41.79 -43.63 3.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -56.97 -52.52 64.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD2' ' CE2' ' A' ' 104' ' ' PHE . 10.3 t0 -46.14 -46.8 17.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 HD22 ' CD1' ' A' ' 45' ' ' LEU . 28.8 mt -61.29 -51.11 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.497 ' O ' ' CB ' ' A' ' 59' ' ' SER . 33.8 mt-10 -49.13 -55.98 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -57.7 -48.87 78.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.2 tp -48.44 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.443 ' O ' ' C ' ' A' ' 59' ' ' SER . 62.8 m-85 -66.5 -58.71 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 42.9 t -34.79 -44.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.82 -49.52 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -62.19 -46.24 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.33 176.8 42.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.23 15.79 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.248 . . . . 0.0 112.393 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.1 163.43 15.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -111.92 -49.15 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.3 tp10 -151.21 144.81 24.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 51' ' ' GLU . 14.3 tp -123.12 148.8 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.406 ' ND1' ' HD3' ' A' ' 70' ' ' PRO . 41.8 t-80 -132.57 101.96 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -116.25 94.23 41.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.537 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.67 147.66 63.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mm -143.66 142.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.4 146.89 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -85.37 -8.83 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.56 -54.87 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -83.53 -8.4 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.67 30.67 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -136.8 155.39 76.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.514 0.674 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.38 66.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -20.26 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.63 43.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.537 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.7 p90 -163.0 148.4 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.44 164.94 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.93 115.16 20.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 93.8 t -105.33 135.34 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -124.18 104.42 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.55 154.73 41.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.1 mmt -64.93 -48.82 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 91' ' ' HIS . 81.8 m-85 -110.38 147.53 36.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.692 0.758 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.44 7.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.72 -25.06 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 39.2 m170 -82.3 -44.9 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.73 -38.18 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.12 -58.72 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -45.34 -43.22 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.06 -48.97 40.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.538 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 1.4 t80 -54.5 -22.68 13.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.21 -41.9 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.57 -58.33 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.455 HG11 ' NE2' ' A' ' 102' ' ' GLN . 57.6 t -44.07 -55.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.73 100.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.08 29.88 7.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.455 ' NE2' HG11 ' A' ' 99' ' ' VAL . 11.7 pt20 -104.72 146.16 29.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.09 130.62 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 8.1 t80 -133.72 106.15 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 61.78 27.6 16.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.54 30.54 26.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HD3' ' ND2' ' A' ' 44' ' ' ASN . 2.9 mmp_? -132.4 113.02 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 tpt -68.83 95.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 34.8 mt -70.62 138.24 50.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -117.35 130.26 56.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.44 HG23 ' CG1' ' A' ' 99' ' ' VAL . 12.0 t -121.0 133.55 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.7 mt -135.8 143.62 45.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.62 14.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t -118.65 147.98 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.3 p -136.27 164.14 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.66 121.34 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -88.37 149.58 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.98 112.23 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.66 112.21 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.21 157.29 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.8 t -117.71 88.56 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -111.06 137.64 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 97.1 p -151.94 142.76 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.24 145.7 28.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.19 2.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.8 t -136.04 152.95 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -93.32 122.4 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -111.75 125.72 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.9 p -85.53 147.59 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.85 -137.6 13.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -85.77 115.39 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 m -124.43 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.38 69.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 m -106.37 104.95 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.385 . . . . 0.0 110.843 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.58 33.02 6.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -92.69 135.83 33.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.84 136.51 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 15.1 t80 -95.09 129.56 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.62 132.98 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -132.38 175.47 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 47.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.445 ' CD1' HD21 ' A' ' 54' ' ' LEU . 3.3 mm? -85.26 141.87 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.427 ' CB ' ' HG3' ' A' ' 107' ' ' ARG . 1.1 t -81.33 130.43 35.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -62.02 -19.25 62.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.979 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.7 p -81.92 -11.76 58.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.3 m -83.18 154.97 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.6 m -119.27 154.26 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -50.83 -38.01 46.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.94 -44.3 94.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' CE1' ' A' ' 69' ' ' TYR . 15.5 mt -58.65 -52.47 65.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' SER . 48.4 mt-10 -45.66 -56.51 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.7 mptt -60.16 -51.95 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 tp -40.36 -68.06 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' CD2' HG22 ' A' ' 84' ' ' VAL . 65.5 m-85 -65.24 -48.82 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 28.3 t -38.45 -46.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.02 -44.72 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.72 177.45 42.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.47 3.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.78 140.61 51.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.2 t -94.82 -32.45 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.06 143.87 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.7 tp -123.62 146.68 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.83 101.26 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.7 t80 -114.67 93.61 33.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.677 0.751 . . . . 0.0 110.907 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.488 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.73 142.21 47.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.1 mm -143.37 131.26 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.72 147.84 31.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.8 m -91.14 -6.43 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -106.13 -48.61 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -91.34 -9.31 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER 53.07 25.08 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -129.27 147.03 63.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -4.18 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.22 4.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.488 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.6 p90 -159.63 152.66 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.85 172.62 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 22.4 m-85 -135.95 117.3 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG22 ' CD2' ' A' ' 58' ' ' PHE . 60.7 t -107.07 140.12 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 m -124.71 106.05 9.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -73.8 150.46 41.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.2 mtp -68.11 -42.08 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -111.99 144.05 29.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.57 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.616 ' CD ' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -55.45 -25.14 34.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CD2' ' CD ' ' A' ' 90' ' ' GLU . 54.9 m170 -85.36 -29.42 24.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.43 -34.91 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -54.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.07 -39.0 63.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.44 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.0 t80 -69.57 -20.24 63.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.14 -25.01 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.0 t -51.27 -55.94 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 10.9 p-10 -44.25 96.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.9 31.41 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -118.79 136.23 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.75 124.23 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -124.65 103.96 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 64.17 30.45 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.52 57.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.427 ' HG3' ' CB ' ' A' ' 46' ' ' SER . 6.2 mmt180 -128.38 115.71 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.459 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.9 98.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 84.9 mt -73.68 123.39 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -109.39 125.29 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.81 136.19 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 14.2 tp -134.59 138.59 30.31 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.7 Cg_endo -69.75 126.19 13.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.312 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t -126.15 115.4 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 25.9 p -130.1 170.06 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.9 121.5 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -90.43 90.93 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -149.87 142.0 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 43.54 44.33 5.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -96.18 -45.27 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -79.92 169.01 18.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -163.05 144.3 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 125' ' ' PRO . 54.5 p -165.04 159.54 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 123' ' ' SER . . . 33.97 -96.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 123' ' ' SER . 53.9 Cg_endo -69.8 173.12 11.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.9 t -164.59 162.27 21.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.9 t -130.54 -45.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.439 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -52.89 116.74 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -84.28 166.6 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.58 81.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 m -110.88 94.79 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -117.88 160.89 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.61 -53.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.1 p -109.66 127.04 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.965 0.412 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.63 43.48 1.68 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -78.99 135.15 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.3 mt -133.66 145.32 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.412 ' C ' HG22 ' A' ' 42' ' ' VAL . 14.0 t80 -94.41 131.55 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.412 HG22 ' C ' ' A' ' 41' ' ' PHE . 14.2 t -133.33 147.17 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -148.95 179.66 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 t30 65.3 52.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.434 HD12 ' CD2' ' A' ' 109' ' ' LEU . 1.8 mm? -99.86 118.02 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -51.27 126.04 15.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.07 -29.19 57.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.8 p -64.71 -17.68 64.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -85.11 152.99 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.55 163.04 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.462 ' CG ' HD22 ' A' ' 67' ' ' LEU . 13.4 tt0 -46.93 -33.2 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.88 -60.0 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.87 -49.19 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.562 HD12 ' CE1' ' A' ' 69' ' ' TYR . 59.5 mt -54.66 -63.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' SER . 84.4 mt-10 -36.57 -54.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.46 -56.89 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 tp -38.24 -66.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.9 m-85 -66.05 -58.08 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 29.7 t -35.54 -35.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -49.09 -49.41 41.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -61.36 -39.46 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.44 179.51 45.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.5 14.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -86.31 165.67 16.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -117.89 -42.52 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.413 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.9 tt0 -157.48 145.94 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 HD22 ' CG ' ' A' ' 51' ' ' GLU . 20.4 tp -127.93 147.14 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.0 t-80 -132.42 104.5 6.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.562 ' CE1' HD12 ' A' ' 54' ' ' LEU . 2.2 t80 -117.25 93.5 42.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.505 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.75 140.66 43.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.3 mm -138.7 127.13 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -59.5 128.58 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.0 m -76.52 2.68 13.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.9 mt -104.9 -56.19 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -90.27 -13.55 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt 64.78 29.61 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -138.67 147.92 56.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 136.58 33.46 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -65.87 -30.1 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.2 46.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.505 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 8.1 p90 -163.03 147.18 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.45 157.52 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -111.15 118.54 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.33 129.46 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -117.35 109.05 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.73 149.75 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.474 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -64.42 -48.82 73.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -111.37 149.43 40.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.475 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 17.1 pt-20 -48.29 -46.28 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.475 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 19.2 m170 -65.54 -44.67 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -52.55 -17.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.3 t -81.93 -46.35 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -59.33 -50.98 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -54.91 -41.24 70.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.09 -27.9 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.36 -54.52 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 87.1 t -51.74 -55.06 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -55.07 82.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 127.03 22.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 7.3 pt20 -115.73 159.15 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.6 t -109.13 134.84 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 19.6 t80 -127.86 120.02 26.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 45.36 36.28 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.71 31.12 41.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -139.94 111.65 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 mtp -63.18 118.1 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.434 ' CD2' HD12 ' A' ' 45' ' ' LEU . 72.4 mt -86.09 125.76 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -110.93 130.43 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.433 ' CG2' HG11 ' A' ' 99' ' ' VAL . 8.5 t -126.84 130.4 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -127.81 143.94 49.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.3 22.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 t -135.43 115.27 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.7 p -119.72 162.47 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.2 mp -81.51 98.16 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -88.96 67.96 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.66 168.37 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.435 ' O ' ' CD ' ' A' ' 119' ' ' GLU . 2.7 pp20? -108.22 116.68 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -162.99 142.13 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p -89.18 131.64 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -135.28 106.84 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -149.16 145.34 27.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.64 83.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -36.43 10.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 p -55.12 112.76 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 t -114.09 83.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -118.26 170.77 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.6 p -129.22 137.51 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.4 -45.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -120.39 93.08 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -132.08 144.88 51.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.45 66.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.6 p -96.36 -177.67 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.3 -25.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -76.62 129.17 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.12 139.67 53.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -90.43 116.11 28.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.22 131.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -132.77 175.41 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.441 ' CG ' ' O ' ' A' ' 108' ' ' MET . 1.9 t30 74.8 55.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD13 ' CD2' ' A' ' 54' ' ' LEU . 4.6 mm? -99.23 122.55 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.46 126.9 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -51.79 -27.05 11.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 m -67.35 152.57 45.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 166.21 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.81 -48.35 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.08 -51.08 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -46.61 -55.69 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.4 ' CD2' HD13 ' A' ' 45' ' ' LEU . 38.7 mt -52.27 -53.45 43.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' SER . 49.1 mt-10 -41.78 -53.86 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -62.55 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.7 tp -36.37 -68.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -61.62 -49.81 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.9 t -39.06 -41.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.33 -46.19 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.52 -39.0 91.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.14 44.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.458 ' HB2' ' CE ' ' A' ' 87' ' ' MET . 54.4 Cg_endo -69.68 151.67 69.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.731 2.287 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.35 124.21 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 t -74.03 -37.46 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -170.14 144.23 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 tp -120.68 142.65 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -131.55 111.1 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -122.79 93.91 47.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.77 48.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 11.9 mm -143.96 129.04 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.416 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 4.7 m-20 -54.84 145.33 20.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.1 p -88.6 -13.38 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.68 -51.99 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 p -82.08 -25.09 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm 69.43 35.52 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -145.55 154.67 52.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 152.75 69.42 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.389 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.564 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 8.9 mptt -79.39 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.22 31.32 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.564 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 2.6 p90 -157.59 157.08 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.89 176.25 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -132.36 112.99 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.446 HG13 ' CE1' ' A' ' 86' ' ' PHE . 88.9 t -108.15 126.52 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.33 136.0 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.446 ' CE1' HG13 ' A' ' 84' ' ' VAL . 30.2 m-85 -110.45 146.11 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.458 ' CE ' ' HB2' ' A' ' 63' ' ' PRO . 10.9 mtm -66.66 -45.61 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -106.56 141.52 22.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -44.36 2.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.44 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.0 pt-20 -46.28 -49.28 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.44 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 18.0 m170 -68.93 -44.57 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -55.21 -27.62 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 98.2 t -77.76 -54.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -47.78 -42.98 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.2 -42.91 79.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.425 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 3.3 t80 -65.68 -23.08 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -31.72 31.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.48 -58.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' HG21 ' A' ' 111' ' ' VAL . 94.0 t -44.47 -48.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.72 96.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.39 30.24 4.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -115.31 155.87 26.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -102.67 134.71 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 21.8 t80 -132.67 100.27 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 62.34 45.16 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.09 25.4 75.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -135.5 111.66 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 9.0 mtp -67.21 116.55 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 55.7 mt -85.92 123.81 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -106.51 117.99 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.467 HG21 ' CG1' ' A' ' 99' ' ' VAL . 13.8 t -108.47 137.65 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.459 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -135.82 138.01 26.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.459 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.5 Cg_endo -69.77 130.83 20.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -98.75 147.17 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 34.0 p -123.72 142.8 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mm -39.69 104.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -61.23 93.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -151.75 132.82 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -100.48 118.15 36.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.51 110.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -124.62 116.57 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -174.85 155.03 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.0 p -84.19 -50.07 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.15 75.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.57 51.23 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -157.76 141.47 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -153.33 115.33 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -142.0 145.7 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -45.73 -46.59 15.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.11 148.22 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -97.57 141.85 30.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -65.01 83.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.99 39.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -119.17 115.85 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.58 39.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.72 132.63 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -139.25 132.04 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -91.34 126.93 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -130.29 144.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.424 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 22.6 ptt180 -140.92 175.47 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.8 t30 72.45 50.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.452 HD12 ' CD2' ' A' ' 54' ' ' LEU . 4.3 mm? -92.28 134.68 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 p -72.72 129.11 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.86 -31.57 50.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -68.12 -22.14 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -72.12 150.79 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -123.63 159.61 28.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -47.11 -32.63 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.91 -60.69 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -42.42 -48.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.558 HD11 ' CE1' ' A' ' 69' ' ' TYR . 49.1 mt -62.11 -56.98 13.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -38.61 -55.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 3.6 mptp? -59.66 -57.66 11.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LYS . 30.8 tp -36.07 -64.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.418 ' O ' ' C ' ' A' ' 59' ' ' SER . 94.5 m-85 -66.43 -52.69 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' PHE . 3.3 t -36.98 -46.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -50.46 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -60.43 -40.46 91.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.69 -179.9 45.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 129.97 18.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.94 133.37 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.4 t -86.04 -35.58 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -170.56 139.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 16.3 tp -117.65 144.72 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -129.12 101.1 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.558 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.5 t80 -114.43 93.57 32.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.916 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.11 39.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.6 mm -136.83 140.82 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.58 143.31 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 t -84.12 -7.9 59.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.72 -59.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -76.08 -17.16 59.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 61.46 32.37 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -142.66 151.24 56.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.77 140.53 42.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.392 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -67.23 -16.49 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.8 43.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -161.78 149.21 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.36 171.33 19.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -129.44 118.91 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 67.1 t -104.93 119.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -110.65 117.01 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -89.39 161.42 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.0 mtt -76.98 -43.1 36.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -114.99 149.26 42.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.83 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.4 pt-20 -44.18 -51.51 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.545 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 14.3 m170 -67.5 -42.86 82.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.23 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.78 -46.46 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -54.58 -47.23 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.09 69.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.415 ' CE1' ' HD3' ' A' ' 113' ' ' PRO . 5.5 t80 -56.34 -20.44 19.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.02 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -93.68 -59.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 101' ' ' GLY . 46.6 t -47.35 -56.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -48.68 92.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 113.32 21.07 5.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -111.62 146.15 37.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.86 126.48 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 23.8 t80 -123.47 96.42 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 72.16 28.46 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.59 23.16 56.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -122.87 116.52 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.431 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -68.17 94.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 78.4 mt -70.41 135.73 48.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.424 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 12.8 m170 -120.01 112.22 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.17 128.38 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.417 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 10.9 tp -126.4 138.48 32.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.417 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 54.1 Cg_endo -69.77 138.62 38.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.2 t -139.71 129.37 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.1 p -129.72 175.56 8.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.4 mp -85.66 104.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.12 94.6 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -87.43 144.3 26.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -106.66 100.77 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.51 136.31 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.3 p -84.65 88.2 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -172.86 120.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -64.37 -42.58 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.38 64.6 1.63 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 101.92 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.298 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 139.15 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.6 m -140.98 134.83 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m 60.1 41.66 16.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.39 . . . . 0.0 110.891 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.8 t -173.03 122.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -101.62 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m 51.78 45.99 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.391 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -135.27 161.05 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.14 -45.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.6 p -109.72 126.54 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.62 45.25 3.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -79.15 145.27 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.9 mt -138.39 151.05 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 18.1 t80 -105.46 109.71 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 t -111.86 131.97 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.455 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -133.61 173.45 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 72.68 52.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD13 ' CD2' ' A' ' 54' ' ' LEU . 4.3 mm? -96.87 138.75 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 p -79.79 124.7 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -47.11 -40.72 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -53.37 -31.93 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 m -68.57 144.47 54.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.6 m -112.12 147.34 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.468 ' CG ' HD23 ' A' ' 67' ' ' LEU . 37.0 tt0 -34.57 -36.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' SER . 40.0 tt0 -65.13 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLU . 11.2 t0 -35.06 -38.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.46 ' CD2' HD13 ' A' ' 45' ' ' LEU . 20.8 mt -64.82 -55.4 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.496 ' O ' ' CB ' ' A' ' 59' ' ' SER . 23.6 mt-10 -54.04 -46.46 71.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.66 -27.98 69.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -75.03 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.561 ' CE2' HG23 ' A' ' 84' ' ' VAL . 49.8 m-85 -65.89 -52.09 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 38.9 t -41.04 -29.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.27 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.24 -21.19 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.54 -173.81 38.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.88 58.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -104.19 163.87 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' CB ' ' HE2' ' A' ' 87' ' ' MET . 11.0 t -115.41 -45.7 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.52 147.42 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 HD23 ' CG ' ' A' ' 51' ' ' GLU . 12.3 tp -125.38 142.41 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 8.9 t-80 -130.72 100.98 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -113.31 93.98 29.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.718 0.771 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.56 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.76 137.48 35.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.426 HD13 ' N ' ' A' ' 78' ' ' PRO . 7.1 mm -140.58 132.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.7 147.52 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -84.63 -16.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.69 -59.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.0 p -75.18 -17.2 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 59.15 28.05 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' C ' HG21 ' A' ' 71' ' ' ILE . 25.6 mtpp -133.69 155.64 80.26 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.426 ' N ' HD13 ' A' ' 71' ' ' ILE . 53.1 Cg_endo -69.86 162.54 41.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.496 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -89.82 -13.34 36.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 33.38 2.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.496 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 4.2 p90 -162.94 158.49 22.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.84 175.59 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 56.7 m-85 -128.74 120.33 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.561 HG23 ' CE2' ' A' ' 58' ' ' PHE . 39.1 t -111.67 129.09 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 m -116.55 104.03 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -71.71 160.77 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.426 ' HE2' ' CB ' ' A' ' 65' ' ' SER . 2.1 mmt -69.33 -48.39 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -110.24 147.98 37.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -33.58 16.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 91' ' ' HIS . 18.1 pt-20 -61.14 -47.04 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 90' ' ' GLU . 27.0 m170 -63.09 -48.31 79.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -50.36 -35.1 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 96.3 t -67.56 -48.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.6 -49.7 76.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -60.65 -19.96 59.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.23 -35.08 20.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.01 -58.84 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 59.8 t -47.59 -52.26 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.63 88.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.09 23.42 2.45 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.76 153.51 28.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -96.8 141.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -133.76 108.51 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 52.77 28.62 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.21 32.26 12.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -136.5 123.12 20.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.437 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.23 97.85 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 99.0 mt -67.54 124.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.455 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 9.3 m170 -109.06 111.2 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.91 138.25 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.05 135.1 14.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.409 ' HD3' ' CZ ' ' A' ' 96' ' ' TYR . 54.1 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 t -127.92 130.87 49.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -179.12 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.0 mp -89.59 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.03 91.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -103.29 162.65 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -129.98 120.19 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.97 113.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 80.5 p -90.64 100.67 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -61.93 87.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -148.79 113.4 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.7 70.81 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.09 32.24 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.226 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.3 p -40.87 -54.51 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.3 t -43.48 143.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -87.46 134.88 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -119.22 113.18 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 113.31 3.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -122.72 142.84 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.7 p -68.65 -45.92 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.67 49.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.6 p -131.37 130.0 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.7 40.33 2.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.39 138.63 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.22 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.05 139.0 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -139.76 -178.64 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 108' ' ' MET . 5.0 t30 67.72 50.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -93.37 132.57 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -70.54 115.97 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -44.37 -25.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.0 p -67.71 -40.26 84.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 153.04 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -118.08 158.16 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -42.65 -40.71 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.12 -56.91 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.9 -46.68 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.554 HD11 ' CE1' ' A' ' 69' ' ' TYR . 32.9 mt -59.76 -51.83 68.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' SER . 17.4 mt-10 -44.27 -57.61 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 7.1 mptt -59.31 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -39.67 -66.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' SER . 59.9 m-85 -66.14 -53.39 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 18.0 t -35.52 -39.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.21 8.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.53 45.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.11 29.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 mt -96.0 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 t -92.79 -46.99 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -154.14 145.84 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.418 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.2 tp -124.5 148.0 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.534 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 6.1 t-80 -135.11 104.64 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.554 ' CE1' HD11 ' A' ' 54' ' ' LEU . 3.9 t80 -119.14 100.25 50.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.898 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.553 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.7 Cg_endo -69.73 138.15 37.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.7 mm -140.95 123.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.06 131.84 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -75.97 -1.96 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 35.6 mt -103.91 -55.89 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 p -90.68 -1.58 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER 51.37 27.11 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -131.88 149.85 74.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 151.68 68.69 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -77.1 -12.32 59.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.52 34.23 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.553 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 3.2 p90 -155.75 151.03 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.355 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.76 173.98 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -133.16 117.19 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.0 t -105.29 136.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.0 m -124.96 103.23 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 -72.73 152.58 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.8 mtp -69.22 -44.31 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.48 144.81 33.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -33.56 16.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.544 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 15.6 pt-20 -60.57 -32.29 71.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.544 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 28.7 m170 -81.21 -48.2 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -49.86 -38.78 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.3 -50.77 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -53.97 -40.25 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.42 -52.99 18.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.493 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 2.1 t80 -53.07 -20.84 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.96 -40.67 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.02 -59.34 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' GLN . 57.4 t -45.03 -63.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' VAL . 2.5 t70 -36.7 95.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.86 20.47 8.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . 8.4 pt20 -103.83 130.22 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.411 HG12 ' N ' ' A' ' 104' ' ' PHE . 67.7 t -79.66 141.95 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.411 ' N ' HG12 ' A' ' 103' ' ' VAL . 20.4 t80 -139.76 105.15 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.45 27.56 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 32.23 14.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -136.49 122.44 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.426 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -72.2 98.09 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 71.0 mt -73.81 117.9 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.0 138.19 39.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.7 t -130.42 123.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -116.72 144.13 32.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.7 t -144.93 126.96 15.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.6 p -133.79 167.41 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.23 106.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -71.35 84.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.6 126.61 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 61.45 51.5 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -113.42 -43.24 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -108.78 44.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -72.57 145.27 47.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 m -88.43 -42.44 12.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -107.48 83.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -41.05 4.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -107.75 155.11 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.1 m -50.44 -52.97 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.1 t -118.61 85.13 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 m -95.7 135.59 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.71 58.85 12.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 t -87.7 94.93 9.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 m 55.03 46.33 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -100.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 t -164.09 155.47 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.64 38.35 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.43 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 1.3 tmm_? -75.02 137.82 41.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 18.4 mt -141.45 153.51 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 14.0 t80 -97.77 125.82 42.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.86 141.77 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -141.74 173.62 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.3 t30 73.95 47.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -89.52 131.16 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 p -75.29 128.69 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.82 -17.4 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 p -77.98 -29.15 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 t -59.34 156.73 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.8 m -122.17 139.81 53.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.433 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt0 -41.51 -26.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 6.0 tm-20 -86.72 -41.2 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.0 t0 -55.52 -35.36 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 31.4 mt -67.28 -57.18 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.469 ' O ' ' CB ' ' A' ' 59' ' ' SER . 5.7 mm-40 -40.29 -47.07 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -65.19 -45.91 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.0 tp -51.57 -60.45 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -68.66 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.0 t -46.16 -43.85 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.88 -33.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.94 -41.09 30.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 -178.86 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.407 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.8 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 54.3 mt -86.26 134.49 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 t -86.2 -43.68 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 tp10 -156.96 149.43 23.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 13.7 tp -120.48 147.15 45.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.451 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 11.6 t-80 -133.61 100.83 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 4.4 t80 -118.42 98.93 51.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.55 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.74 136.73 33.79 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.456 HD12 ' CA ' ' A' ' 78' ' ' PRO . 9.7 mm -142.4 126.58 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -52.36 145.82 10.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -85.0 -11.81 54.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.14 -57.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 p -75.75 -20.94 57.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 62.93 32.23 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' C ' HG23 ' A' ' 71' ' ' ILE . 28.2 mtmm -137.24 153.99 75.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.456 ' CA ' HD12 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.76 152.79 69.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -82.26 -7.43 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.11 34.76 4.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.55 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 15.3 p90 -160.03 156.74 27.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.94 169.56 20.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 35.4 m-85 -128.24 119.5 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.55 134.86 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -122.95 111.88 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -85.71 162.17 18.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.36 -47.33 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.99 147.5 34.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.318 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.3 -23.77 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.407 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 65.3 m170 -77.9 -37.73 47.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.16 -29.14 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.4 t -68.26 -55.83 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -53.5 -39.53 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -69.94 -49.33 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -61.43 -22.88 65.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.79 -59.12 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ALA . 65.9 t -45.38 -52.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -48.73 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 111.43 32.34 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -117.99 128.86 55.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.94 136.07 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.442 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 54.8 t80 -136.37 114.79 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 57.12 26.23 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.39 32.88 18.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -139.42 115.86 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.578 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 5.9 tpt -63.23 96.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.442 ' CD1' ' HB2' ' A' ' 104' ' ' PHE . 60.1 mt -67.58 122.34 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -109.13 131.05 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.424 ' CG2' HG11 ' A' ' 99' ' ' VAL . 11.3 t -120.89 133.42 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.438 ' N ' HD21 ' A' ' 112' ' ' LEU . 4.0 mm? -128.63 143.99 50.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.12 15.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.242 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.43 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.2 t -123.83 162.56 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -133.72 -178.18 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.9 132.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -96.64 112.42 24.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -111.54 129.56 56.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -154.71 165.89 35.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.98 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 m -121.8 132.67 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -115.7 125.43 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.2 p -155.5 154.18 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.39 69.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 119.18 6.17 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.5 m -84.27 157.41 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.6 t -125.25 -55.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.8 p -124.48 135.66 53.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 m -98.07 41.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.88 -177.84 34.99 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 m -147.25 158.0 43.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.812 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.29 152.0 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.02 52.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.6 t -107.07 -60.8 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.49 38.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -119.0 142.27 47.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.405 ' C ' HG22 ' A' ' 42' ' ' VAL . 13.4 t80 -102.62 130.86 49.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.405 HG22 ' C ' ' A' ' 41' ' ' PHE . 13.5 t -133.3 144.82 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 179.09 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.467 ' ND2' ' O ' ' A' ' 108' ' ' MET . 5.3 t30 67.44 50.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -90.64 136.01 33.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -73.63 123.83 24.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.55 -20.17 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -72.6 -34.44 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.1 m -72.38 154.87 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -120.58 154.44 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -37.82 -33.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 21.0 tt0 -63.35 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLU . 1.1 m-20 -35.83 -52.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.561 HD13 ' CE1' ' A' ' 69' ' ' TYR . 73.5 mt -53.11 -60.71 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' LEU . 67.1 mt-10 -38.47 -53.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -64.5 -59.41 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' LYS . 12.3 tp -36.42 -57.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -69.98 -46.34 65.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -43.0 -37.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.77 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.74 -35.64 72.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.5 -176.68 47.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.35 21.0 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.6 mt -91.26 152.46 20.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -103.45 -44.5 5.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -160.13 148.38 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.461 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.5 tp -129.06 142.8 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -127.24 105.06 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.561 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.3 t80 -112.61 93.61 24.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 110.959 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.573 ' CG ' ' CE1' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.8 141.9 46.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.416 HG22 ' C ' ' A' ' 77' ' ' LYS . 3.8 mm -140.39 154.29 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -82.66 131.65 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 t -76.41 2.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -105.28 -59.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p -90.11 -11.66 40.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 62.89 26.76 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.416 ' C ' HG22 ' A' ' 71' ' ' ILE . 38.4 mtmt -127.08 148.54 66.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 179.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.71 31.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -66.63 -15.8 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.3 38.7 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CE1' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.19 145.13 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.72 167.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.08 120.62 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 62.5 t -106.27 119.92 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.7 m -109.25 104.43 13.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -76.99 152.31 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.461 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -61.56 -46.41 90.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.15 145.96 37.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.33 7.89 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -52.72 -44.59 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -69.99 -41.61 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.92 66.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.52 -47.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -55.99 -41.49 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.17 81.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.73 -22.21 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.85 -26.36 24.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -99.85 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 90.4 t -53.14 -58.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -39.0 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 112.0 29.77 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -109.15 156.95 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.29 139.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -141.79 109.27 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 57.18 27.91 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.14 31.98 33.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.437 ' HA ' ' NE ' ' A' ' 107' ' ' ARG . 3.3 mmp_? -130.01 113.73 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.572 ' SD ' ' CD2' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -64.52 101.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 56.9 mt -79.95 132.57 36.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.572 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 12.0 m170 -115.53 136.28 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.28 130.12 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 8.3 tp -129.96 139.8 36.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.8 Cg_endo -69.73 130.79 20.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -133.98 116.03 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.5 m -125.48 172.51 9.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.4 mp -50.85 108.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -82.0 137.59 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -165.11 145.76 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -136.49 133.92 37.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.33 166.3 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.2 t -111.19 140.39 45.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -129.66 110.73 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.1 p -126.67 95.16 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.95 146.09 4.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.395 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.4 p -132.48 119.38 20.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.7 t -61.01 124.1 19.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -130.5 141.24 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 p -159.0 141.33 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.26 56.67 0.47 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -47.41 -48.03 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.8 t -72.18 152.03 42.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' SER . . . 116.06 45.99 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.546 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' GLY . 8.1 t -34.5 148.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.44 34.14 2.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -75.13 135.7 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 82.9 mt -145.38 132.77 20.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 26.0 t80 -91.67 129.82 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -130.97 149.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -147.82 171.37 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 108' ' ' MET . 6.0 t30 71.15 54.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -101.42 106.51 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -42.27 120.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.4 -28.39 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -61.42 -34.67 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -66.26 154.83 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -120.71 159.67 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -39.94 -45.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.33 -49.74 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.9 -31.62 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.5 HD13 ' CE1' ' A' ' 69' ' ' TYR . 43.0 mt -77.65 -51.17 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.5 mt-10 -51.93 -53.34 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.08 -59.16 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.503 ' CE2' HG22 ' A' ' 84' ' ' VAL . 69.1 m-85 -70.79 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 12.7 t -37.26 -50.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.8 -44.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -65.18 -41.35 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -170.51 176.69 43.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.404 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.6 Cg_endo -69.76 124.21 10.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.9 mt -83.71 161.95 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -119.5 -37.16 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -159.05 146.94 17.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -132.79 144.98 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -133.24 102.47 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.5 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.1 t80 -117.01 93.62 42.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 148.33 64.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 22.1 mm -139.94 143.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -68.87 132.4 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -76.08 -6.45 51.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -107.32 -55.16 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -84.63 -5.92 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.194 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.5 27.22 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -135.07 151.29 75.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 145.51 57.62 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -68.36 -20.1 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 42.88 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 18.1 p90 -162.43 150.98 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.16 161.55 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 12.8 m-85 -117.94 119.27 34.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.503 HG22 ' CE2' ' A' ' 58' ' ' PHE . 61.4 t -102.99 133.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.8 m -121.66 100.87 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -73.67 153.2 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.473 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.33 -39.82 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -119.85 151.82 52.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -46.42 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -54.13 -32.24 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.404 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 47.5 m170 -80.72 -26.9 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -78.56 -13.29 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 85.1 t -84.42 -47.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -53.65 -46.87 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.57 -50.56 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 4.6 t80 -63.78 -18.19 63.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.64 -36.88 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.4 -56.38 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.405 ' N ' ' O ' ' A' ' 95' ' ' ALA . 66.6 t -51.07 -54.02 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -49.67 98.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.12 5.6 13.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.416 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -102.4 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -117.17 135.99 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -125.95 105.15 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 68.22 32.32 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.55 26.08 55.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -134.19 114.21 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.462 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.3 mtp -60.94 116.61 4.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -80.2 122.56 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.65 122.77 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 134.57 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.2 mt -133.45 143.24 47.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.52 10.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -124.47 115.54 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.8 p -127.34 151.35 48.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -39.27 120.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.93 90.18 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -76.17 141.52 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.79 96.47 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.88 164.16 13.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.8 p -67.96 -46.68 70.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -171.35 138.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -61.64 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.26 77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 80.89 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.234 . . . . 0.0 112.346 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 m -144.99 163.46 34.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -57.67 128.77 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.441 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -170.39 156.31 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.6 m -54.08 139.92 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.5 46.6 3.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -167.54 160.74 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -112.3 44.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.33 98.81 0.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -83.14 138.09 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.53 38.08 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -74.72 139.43 43.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.58 126.58 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -84.89 127.62 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 38.9 t -124.4 142.79 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.48 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -140.33 165.69 26.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.48 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 6.6 t30 74.96 54.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -97.02 111.36 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -53.96 127.94 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -48.43 -42.97 33.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -53.84 -28.61 36.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 m -69.71 142.93 53.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -113.56 159.4 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.0 -48.03 64.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.59 -48.84 76.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.46 -42.65 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.518 HD13 ' CE1' ' A' ' 69' ' ' TYR . 54.8 mt -59.4 -56.93 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -39.51 -55.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -58.67 -45.16 90.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.13 -54.92 37.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.45 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.5 m-85 -73.33 -63.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' PHE . 77.4 p -34.39 -37.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -42.41 -52.11 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -59.33 -44.38 92.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.31 -177.65 41.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.48 6.42 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.1 mt -79.98 150.26 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.469 ' HB3' ' CG2' ' A' ' 85' ' ' THR . 35.1 t -96.04 -45.67 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' CD ' ' C ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -158.56 153.27 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 tp -132.98 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -132.47 102.05 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.518 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.2 t80 -108.3 93.61 11.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.689 0.756 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.517 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.71 136.9 34.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 mm -136.96 140.59 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -72.67 140.54 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 m -86.29 0.45 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.13 -50.85 3.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 p -98.9 1.38 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 3.6 mptt 46.18 26.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -129.84 146.16 60.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 142.1 46.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -70.85 -14.23 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.517 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -160.07 148.44 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.06 164.39 30.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.79 118.62 33.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 84.8 t -108.72 123.61 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.469 ' CG2' ' HB3' ' A' ' 65' ' ' SER . 96.3 m -111.1 138.73 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.441 ' N ' HG22 ' A' ' 85' ' ' THR . 21.5 m-85 -108.27 152.32 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.435 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -72.05 -47.42 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -109.48 143.57 28.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 pm0 -49.15 -31.58 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -81.14 -46.39 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.29 -26.53 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.19 -49.87 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -50.49 -47.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.5 -52.75 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.5 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 2.7 t80 -53.45 -21.94 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.04 -38.47 24.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.62 -59.48 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.467 ' CG1' HG22 ' A' ' 111' ' ' VAL . 58.8 t -42.68 -59.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -45.15 108.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.51 14.57 32.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.463 ' NE2' HG11 ' A' ' 99' ' ' VAL . 12.8 pt20 -97.44 161.04 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.09 133.51 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -135.36 107.91 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 65.42 35.23 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.71 63.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -134.74 112.83 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.438 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.5 mtp -65.46 116.48 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.459 HD13 ' NE2' ' A' ' 102' ' ' GLN . 41.0 mt -87.79 121.34 30.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -104.06 113.07 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.467 HG22 ' CG1' ' A' ' 99' ' ' VAL . 12.5 t -105.98 132.39 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt -132.82 143.32 48.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.31 15.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.3 t -131.91 142.27 49.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 59.0 p -146.84 179.41 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.19 120.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.58 108.54 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -118.05 121.91 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.62 89.99 3.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.4 150.23 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.061 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -83.12 42.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -87.76 91.31 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.2 m -146.7 112.13 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -106.61 84.55 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.03 56.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.9 p -161.98 161.3 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 55.7 m -106.26 100.14 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.7 p -130.31 147.92 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m -130.62 -46.12 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.32 -128.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 m -126.29 91.03 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -74.75 101.38 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.79 -41.51 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -134.55 142.31 46.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.969 0.414 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 37.71 2.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -80.23 150.37 30.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -147.99 137.91 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 13.4 t80 -87.6 121.03 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -119.67 141.99 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -144.99 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.5 t30 71.65 54.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.402 HD11 ' CD2' ' A' ' 109' ' ' LEU . 1.3 mm? -104.79 111.13 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.461 ' N ' ' HD2' ' A' ' 107' ' ' ARG . 1.5 t -52.45 133.68 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.13 -25.58 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -65.21 -14.09 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -82.58 145.42 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -118.35 148.3 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.27 -42.23 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.32 -47.11 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.0 -47.58 74.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 69' ' ' TYR . 76.8 mt -61.45 -49.99 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' CG ' HD22 ' A' ' 67' ' ' LEU . 36.2 mt-10 -45.54 -57.78 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 11.9 mptt -57.06 -49.12 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.5 tp -46.62 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -59.16 -36.78 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -51.43 -39.18 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.18 -48.15 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -64.2 -30.54 71.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.76 171.62 40.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.42 6.37 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 55.1 mt -77.19 125.66 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.3 p -86.52 -27.01 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -169.9 139.18 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.407 HD22 ' CG ' ' A' ' 55' ' ' GLU . 22.7 tp -120.43 147.52 44.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -133.36 101.07 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.565 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.3 t80 -116.24 93.73 40.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.525 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.418 HG21 ' C ' ' A' ' 77' ' ' LYS . 19.8 mm -140.91 148.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.34 135.73 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 p -78.5 -0.34 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.89 -58.34 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -85.19 -15.04 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 61.53 29.48 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.418 ' C ' HG21 ' A' ' 71' ' ' ILE . 33.5 mttt -132.28 150.99 77.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.406 ' CA ' HD13 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.81 136.8 33.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.389 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -65.89 -26.74 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.63 38.13 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.527 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.525 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 9.5 p90 -162.49 146.01 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.57 167.08 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 34.6 m-85 -124.6 116.98 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 85' ' ' THR . 58.1 t -104.21 140.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.449 ' N ' HG12 ' A' ' 84' ' ' VAL . 36.4 m -127.72 109.01 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.16 137.25 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.5 ttm -55.27 -48.43 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -111.82 143.88 29.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 -33.46 16.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.35 -48.01 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.66 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.1 t -78.92 -49.82 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.47 -54.46 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.72 -51.21 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.37 -18.2 48.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.63 -31.28 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.16 -59.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 42.2 t -48.47 -58.98 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.34 104.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.87 22.56 8.79 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -115.4 163.5 15.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -108.35 139.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.424 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 6.9 t80 -138.04 110.93 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 61.76 28.76 17.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.25 25.19 44.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.461 ' HD2' ' N ' ' A' ' 46' ' ' SER . 16.8 mtt-85 -134.24 123.0 23.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.598 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 4.1 tpt -68.19 105.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' CD1' ' HB2' ' A' ' 104' ' ' PHE . 31.3 mt -70.28 124.61 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -112.83 107.28 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 t -102.37 128.47 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -127.7 141.6 41.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.25 37.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 t -134.23 138.13 44.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.2 p -141.88 160.7 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.92 129.34 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.99 105.89 7.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -117.37 136.04 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -117.65 81.76 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.59 174.93 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.8 p -172.54 121.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -51.45 -60.21 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -158.01 138.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 63.81 -158.49 40.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.04 5.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -44.45 99.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.5 m -83.79 137.29 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -50.56 131.94 25.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -45.38 -53.31 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.88 -152.44 23.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.0 p -103.49 94.36 5.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -116.84 129.76 56.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.25 53.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -113.32 132.02 55.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.42 34.22 3.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -96.07 145.73 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -144.31 126.74 15.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.15 130.51 35.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -129.49 141.37 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.421 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 9.8 ptp180 -140.83 169.87 16.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.2 t30 74.23 46.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 HD13 ' CD2' ' A' ' 54' ' ' LEU . 4.3 mm? -86.08 146.7 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.59 127.68 34.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -39.82 66.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -59.99 -14.03 14.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 m -83.2 146.04 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' GLU . 39.9 m -114.99 148.45 38.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -37.66 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -76.58 -47.19 23.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.8 m-20 -49.59 -44.16 46.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.54 HD13 ' CE1' ' A' ' 69' ' ' TYR . 28.1 mt -61.41 -56.42 20.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.492 ' O ' ' CB ' ' A' ' 59' ' ' SER . 28.2 mt-10 -43.78 -52.11 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -56.79 -32.42 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -76.3 -55.8 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.534 ' CD2' HG22 ' A' ' 84' ' ' VAL . 40.6 m-85 -71.88 -59.9 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 4.8 t -40.58 -41.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.45 -42.94 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -67.97 -42.32 81.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.02 177.92 42.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 118.6 5.78 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.4 mt -80.19 129.29 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.2 t -87.75 -28.04 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -168.88 137.25 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.6 tp -121.58 144.27 48.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.495 ' O ' ' CB ' ' A' ' 82' ' ' ALA . 1.7 t-80 -125.05 118.99 27.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE1' HD13 ' A' ' 54' ' ' LEU . 2.2 t80 -132.23 93.61 25.61 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.641 0.734 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.549 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.8 139.97 41.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' CG2' ' C ' ' A' ' 76' ' ' LYS . 6.0 mm -142.58 127.93 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.79 131.13 50.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -76.18 2.19 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.04 -55.3 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -95.08 -15.36 23.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 71' ' ' ILE . 21.1 mmtp 67.61 26.05 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -125.36 145.53 51.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.98 64.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -1.3 57.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ASN . . . 91.93 39.43 5.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.549 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -158.77 150.31 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 68' ' ' HIS . . . -162.92 175.5 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -132.01 119.16 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.534 HG22 ' CD2' ' A' ' 58' ' ' PHE . 17.0 t -104.42 142.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m -133.57 108.82 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 34.6 m-85 -81.94 143.97 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.1 ttm -56.85 -37.36 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.73 147.95 57.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -38.19 -44.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -71.7 -47.78 51.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 -29.72 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.27 -51.02 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.37 -42.39 73.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.36 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -65.59 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.92 -33.53 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.77 -59.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 85.3 t -42.78 -55.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 9.4 p-10 -50.71 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.414 ' C ' ' HE1' ' A' ' 108' ' ' MET . . . 105.45 24.22 7.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.464 ' N ' ' HE1' ' A' ' 108' ' ' MET . 10.0 pt20 -110.54 152.07 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.9 t -99.44 126.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.466 ' O ' ' CG ' ' A' ' 105' ' ' GLN . 8.4 t80 -105.86 99.05 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' PHE . 3.6 pt20 48.37 26.61 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.46 29.83 5.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 8.4 mmp_? -133.15 115.46 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.506 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.7 94.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 52.7 mt -74.0 123.36 24.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.421 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 15.9 m170 -106.45 103.25 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.4 t -92.93 139.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.467 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -143.95 138.0 14.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.467 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.78 130.91 20.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 t -117.92 119.22 34.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.7 m -133.76 160.78 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 2.9 mp -41.14 116.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -74.32 77.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -153.54 142.65 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -125.04 101.34 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.42 129.11 51.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -130.92 47.79 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.41 ' HG3' ' N ' ' A' ' 123' ' ' SER . 20.3 pt20 -47.92 -48.38 31.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.41 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 9.5 t -156.41 129.14 7.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -114.41 77.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.95 3.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.3 m -79.6 136.26 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.1 m -146.68 125.58 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -165.25 131.37 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.7 p -58.47 -47.92 82.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 150.74 3.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -70.45 129.27 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -106.8 78.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.62 37.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -146.1 129.08 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.27 29.17 8.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.39 130.04 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 56.1 mt -141.36 131.82 25.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -85.84 125.2 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 t -122.74 141.3 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.84 170.51 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 108' ' ' MET . 3.3 t30 74.74 54.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.466 HD12 ' CD1' ' A' ' 54' ' ' LEU . 4.4 mm? -95.69 117.9 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 p -57.23 129.08 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.53 -12.91 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -89.38 0.0 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -93.63 135.81 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' GLU . 16.8 m -102.2 140.13 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' SER . 34.9 tt0 -37.13 -33.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' SER . 50.0 tt0 -66.6 -50.72 62.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 4.4 m-20 -49.98 -52.44 33.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.54 HD11 ' CE1' ' A' ' 69' ' ' TYR . 33.6 mt -54.88 -48.83 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' SER . 61.8 mt-10 -46.63 -54.18 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -63.53 -45.7 89.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.72 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.422 ' CE2' HG23 ' A' ' 84' ' ' VAL . 85.9 m-85 -67.57 -44.07 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 25.9 t -46.73 -31.84 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.6 72.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -74.72 -44.03 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.86 169.63 39.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 112.99 3.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt -71.88 136.31 46.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -94.37 -37.97 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -154.3 139.2 17.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.411 HD21 ' CG ' ' A' ' 55' ' ' GLU . 13.4 tp -125.25 141.24 52.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -125.96 104.27 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.54 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.6 t80 -118.98 93.67 47.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.74 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.443 HD11 ' CA ' ' A' ' 78' ' ' PRO . 23.3 mm -141.36 125.22 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.24 136.39 56.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -81.62 0.14 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 61.9 mt -106.4 -55.12 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.2 p -87.41 -12.25 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 60.48 31.97 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -136.45 151.04 72.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' CA ' HD11 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.74 167.41 24.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 0.74 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.97 37.0 7.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -162.98 153.39 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.9 166.32 24.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -119.34 120.49 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.422 HG23 ' CE2' ' A' ' 58' ' ' PHE . 67.8 t -105.29 125.31 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 m -116.42 102.36 9.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -75.63 151.28 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.37 -32.65 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -124.15 146.29 50.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -38.94 6.94 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -52.77 -42.61 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -68.58 -51.4 43.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -42.83 -41.57 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.64 -50.96 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -60.26 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.66 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.07 -17.73 54.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.66 -25.89 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -100.47 -58.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 101' ' ' GLY . 63.9 t -52.01 -52.26 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -49.14 87.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 114.35 28.69 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.451 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -118.51 150.32 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -96.9 140.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.0 110.16 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 58.33 34.65 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.02 31.27 55.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -141.0 112.15 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.498 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 11.6 mtp -65.63 117.48 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 38.8 mt -82.5 125.33 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -110.96 120.78 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.463 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.4 t -110.8 135.23 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.47 ' CD1' ' HD2' ' A' ' 113' ' ' PRO . 16.1 tp -130.76 138.26 32.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.62 0.724 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . 0.47 ' HD2' ' CD1' ' A' ' 112' ' ' LEU . 53.3 Cg_endo -69.77 126.25 13.08 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m -119.05 126.05 50.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.3 p -160.19 160.94 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.11 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.3 mp -82.08 112.99 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -90.69 117.61 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.22 148.73 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.61 169.94 16.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 52.17 44.72 29.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 m -109.52 91.37 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -54.86 121.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.7 m -88.55 142.14 27.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.06 145.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -27.84 25.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.7 p -125.51 149.72 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.3 m -52.73 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 t -148.01 165.28 31.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -75.1 105.7 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.93 178.03 49.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -98.83 110.04 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 m -82.84 154.45 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.67 38.42 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.4 p -77.69 104.15 8.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 0.0 110.869 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 46.8 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -79.29 140.91 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.1 mt -145.06 139.52 27.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -86.32 131.74 34.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.1 130.86 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.478 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -133.07 166.7 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.478 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 3.5 t-20 74.95 54.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -95.14 107.41 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -47.0 124.78 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.801 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.75 -29.84 41.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -67.99 -21.99 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -78.62 151.38 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' ASP . 1.8 m -112.15 172.55 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.12 -34.51 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.66 -57.25 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -46.44 -53.55 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.4 mt -47.18 -54.86 9.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' SER . 46.8 mt-10 -46.11 -53.53 10.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 1.1 mptm? -61.74 -55.22 32.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.1 tp -39.82 -66.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.435 ' O ' ' C ' ' A' ' 59' ' ' SER . 80.2 m-85 -65.67 -47.54 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 t -35.76 -41.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.406 ' CD1' ' HA ' ' A' ' 95' ' ' ALA . 87.8 m-85 -59.57 -44.07 93.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.77 171.83 42.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 60.5 mt -68.11 129.57 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t -87.71 -35.53 17.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -161.58 148.69 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.3 tp -130.6 143.98 51.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -129.6 100.97 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.91 93.64 38.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.721 0.772 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.491 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.78 137.91 36.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 14.4 mm -138.77 129.35 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.39 125.01 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -71.39 -1.72 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.3 -55.54 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 p -91.03 -3.54 57.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 51.22 34.32 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -138.08 150.95 68.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.43 45.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -89.58 -4.56 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.36 38.42 4.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.491 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 4.3 p90 -162.57 153.23 17.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.02 167.16 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -124.76 117.58 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.6 t -103.23 134.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.3 m -122.22 112.6 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -86.34 138.44 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.404 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 23.1 ttm -51.29 -48.36 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 87' ' ' MET . 34.6 m-85 -114.97 149.82 43.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -37.96 8.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.754 2.303 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.545 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 10.3 pt-20 -48.67 -48.51 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.545 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 15.3 m170 -70.64 -50.49 36.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -48.56 -31.96 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 83.8 t -73.85 -44.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -57.94 -41.28 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.406 ' HA ' ' CD1' ' A' ' 61' ' ' TYR . . . -66.28 -43.33 86.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.41 -21.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.86 28.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -98.06 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLY . 94.6 t -47.9 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 99' ' ' VAL . 25.6 t0 -34.44 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.19 11.42 9.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 99' ' ' VAL . 3.1 pt20 -94.57 165.3 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.5 t -118.12 132.86 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -129.95 111.32 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 60.16 40.84 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.46 73.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -130.5 111.68 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 44.7 mmm -61.46 124.67 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 69.9 mt -97.28 122.1 39.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.421 ' CD2' ' N ' ' A' ' 110' ' ' HIS . 6.6 m170 -108.13 99.53 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.8 t -90.07 124.54 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -115.53 144.76 33.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.42 17.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t -131.31 146.06 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.2 p -141.38 164.67 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.1 120.42 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -75.11 115.28 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -171.45 132.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.39 137.31 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.49 140.11 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.8 t -85.19 95.64 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -129.21 102.04 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.3 p -126.57 149.18 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.5 150.24 5.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.4 19.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.5 m -120.72 -46.59 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.2 m -127.91 102.64 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m 62.63 42.57 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.5 m -49.0 105.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.38 120.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 34.7 t -78.61 130.8 36.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' SER . 57.1 p -37.67 120.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.36 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -119.85 -63.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' PHE . . . 38.88 36.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.476 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 2.0 tmm_? -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 mt -145.4 164.58 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -117.63 117.29 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.2 146.39 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt-85 -148.07 178.27 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.15 41.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.447 HD11 ' CD2' ' A' ' 54' ' ' LEU . 1.6 mm? -87.84 130.23 34.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.99 120.61 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -45.8 -45.07 14.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.7 p -51.4 -34.6 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.5 m -64.27 151.25 44.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 m -116.33 162.98 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.63 -44.4 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.69 -38.5 75.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.05 -42.15 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.447 ' CD2' HD11 ' A' ' 45' ' ' LEU . 63.9 mt -64.86 -53.9 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.0 mt-10 -38.61 -56.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -59.59 -55.44 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.76 -67.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' CE2' HG23 ' A' ' 84' ' ' VAL . 76.4 m-85 -62.94 -54.04 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 9.1 t -35.82 -44.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.22 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -59.68 -44.55 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.86 41.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.88 34.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.17 128.87 44.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -81.83 -43.06 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . 0.433 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.0 tp10 -155.44 155.35 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 18.9 tp -136.04 144.54 45.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -138.68 108.12 6.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -125.67 93.49 44.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.487 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.79 144.18 53.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mm -139.12 128.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.39 140.9 32.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -84.23 -11.12 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.45 -54.48 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -80.71 -23.78 39.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt 68.59 30.56 5.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -139.66 153.65 70.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.13 61.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -84.02 -6.49 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.63 39.26 4.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.487 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 11.2 p90 -160.7 145.55 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -152.3 173.59 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.06 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -127.33 108.79 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.491 HG23 ' CE2' ' A' ' 58' ' ' PHE . 30.7 t -102.8 118.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -117.06 108.37 15.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLY . 88.7 m-85 -77.25 161.16 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.445 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.83 -44.61 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -117.3 142.16 29.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.81 31.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.456 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 16.4 pt-20 -65.2 -46.52 80.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.456 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 36.6 m170 -68.3 -44.85 74.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.47 -34.8 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 97.0 t -65.93 -49.44 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -50.52 -45.32 56.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.54 -53.55 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.488 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 2.9 t80 -54.7 -22.14 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.83 -39.17 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.64 -59.96 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.446 HG13 ' NE2' ' A' ' 102' ' ' GLN . 93.3 t -44.95 -56.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.186 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -44.85 97.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.95 22.68 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.446 ' NE2' HG13 ' A' ' 99' ' ' VAL . 10.8 pt20 -108.82 155.0 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -101.46 134.66 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 41.5 t80 -132.41 100.02 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 63.84 37.93 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.52 30.78 61.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -129.47 114.78 16.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 96.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 53.1 mt -71.48 133.57 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.87 112.86 19.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.423 HG23 ' CG1' ' A' ' 99' ' ' VAL . 13.4 t -106.27 138.24 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.43 143.7 39.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.476 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.6 t -133.39 157.95 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -147.84 158.05 43.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 131.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -88.66 48.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -44.99 148.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.31 42.32 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -96.51 84.96 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -82.88 40.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -165.18 170.79 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 t -148.66 149.13 30.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.64 123.39 4.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.2 24.97 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 t -124.97 125.67 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 128' ' ' GLY . 7.9 t -149.86 146.54 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -139.65 128.33 23.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -62.63 -47.16 84.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.72 136.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -116.55 27.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -154.16 110.13 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.92 -85.51 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -169.85 148.2 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' CB ' ' A' ' 39' ' ' ARG . 1.5 ttp-105 -85.14 150.28 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -141.98 146.04 35.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 35.9 t80 -95.15 122.09 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.08 142.87 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -141.97 177.91 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 108' ' ' MET . 4.2 t30 68.58 53.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -97.29 121.04 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -66.99 127.66 33.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -48.68 -35.96 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -57.79 -31.88 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 m -73.37 143.83 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -114.85 155.92 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -42.8 -47.48 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.5 -47.49 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.66 -46.79 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.53 HD12 ' CE1' ' A' ' 69' ' ' TYR . 39.1 mt -61.9 -46.77 87.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 mt-10 -49.17 -52.68 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.445 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -63.52 -53.82 45.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.96 -63.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.536 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.1 m-85 -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.6 t -38.99 -40.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.36 -46.44 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -65.28 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.87 179.69 46.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.18 11.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.412 HD21 ' CE1' ' A' ' 86' ' ' PHE . 72.6 mt -81.64 129.49 34.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 t -81.51 -45.07 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -158.77 136.16 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.0 tp -117.94 141.47 48.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -126.22 102.04 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' CE1' HD12 ' A' ' 54' ' ' LEU . 2.1 t80 -116.88 93.54 41.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.453 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.73 136.92 34.31 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.402 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.421 HG21 ' C ' ' A' ' 77' ' ' LYS . 5.7 mm -139.72 129.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.73 152.27 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -89.41 -19.21 25.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.544 ' CD1' ' N ' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.58 -62.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.0 p -75.92 -20.41 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 35.56 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' C ' HG21 ' A' ' 71' ' ' ILE . 77.1 mttt -141.05 155.24 68.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.407 ' N ' HD12 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.78 141.34 44.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.476 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 25.6 mttt -67.68 -22.55 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.79 34.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 42.4 p90 -159.91 151.9 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.08 176.83 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 32.3 m-85 -135.35 121.73 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.536 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.3 t -105.64 130.65 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.24 110.13 18.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' CE1' HD21 ' A' ' 64' ' ' LEU . 13.2 m-85 -87.87 134.38 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.1 ttm -52.36 -49.0 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.45 143.99 27.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -35.5 12.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.468 ' HG3' ' N ' ' A' ' 91' ' ' HIS . 0.0 OUTLIER -63.7 -34.24 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.468 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 54.1 m170 -70.87 -40.73 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.51 -37.06 79.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.54 -50.44 56.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -51.62 -44.43 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.6 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -57.89 -17.8 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.3 -27.44 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.27 -59.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.456 HG13 ' NE2' ' A' ' 102' ' ' GLN . 62.0 t -48.1 -56.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -44.15 96.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.63 21.16 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.456 ' NE2' HG13 ' A' ' 99' ' ' VAL . 8.3 pt20 -109.24 133.26 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.453 HG13 ' N ' ' A' ' 104' ' ' PHE . 86.5 t -84.99 138.49 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.453 ' N ' HG13 ' A' ' 103' ' ' VAL . 21.9 t80 -138.25 111.93 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 59.79 34.15 21.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.8 28.67 56.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.36 111.79 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.6 mtp -63.07 111.06 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 66.9 mt -79.92 125.86 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -107.71 139.78 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.437 ' CG2' HG12 ' A' ' 99' ' ' VAL . 10.3 t -128.44 147.41 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.5 mt -146.79 144.39 20.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 132.44 23.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 t -133.06 115.85 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 p -123.04 175.48 6.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.84 130.07 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -100.0 105.05 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 131.26 22.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -126.89 94.81 4.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.02 127.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.2 t -116.28 86.56 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -140.38 140.05 35.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.5 p -131.16 162.61 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.27 83.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.13 3.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.611 2.207 . . . . 0.0 112.366 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.0 p -74.63 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.6 p -50.77 130.75 25.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.531 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -92.65 137.23 32.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -132.66 113.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -168.72 41.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -95.93 159.48 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.8 p -82.56 112.88 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.54 -73.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 t -131.53 133.19 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.31 35.62 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -88.82 136.45 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 30.5 mt -131.54 160.54 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -105.32 124.52 49.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 t -121.2 146.45 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.434 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 5.9 ptp180 -142.96 -176.91 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' MET . 4.2 m120 64.0 39.79 7.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 HD23 ' CD1' ' A' ' 54' ' ' LEU . 6.4 mt -86.87 112.24 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 p -55.42 131.77 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.62 -24.61 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -71.31 -34.83 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 t -55.19 145.49 21.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m -115.88 150.15 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.6 -33.9 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -70.89 -58.72 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.09 -44.76 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.471 ' CD1' HD23 ' A' ' 45' ' ' LEU . 31.3 mt -63.61 -53.9 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 59' ' ' SER . 28.1 mt-10 -40.63 -38.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -78.89 -41.62 29.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.47 -57.16 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.509 ' CE2' HG22 ' A' ' 84' ' ' VAL . 89.0 m-85 -74.57 -49.44 21.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 6.1 t -36.48 -37.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.78 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -61.12 -34.31 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.32 177.34 47.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.01 3.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 62.5 mt -70.6 140.86 51.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -94.76 -41.91 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -163.6 130.23 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.6 tp -107.7 148.21 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.423 ' ND1' ' HD3' ' A' ' 70' ' ' PRO . 9.5 t-80 -132.92 100.91 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.488 ' CE2' HD13 ' A' ' 71' ' ' ILE . 5.9 t80 -110.57 97.62 33.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . 0.423 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.78 138.14 37.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.488 HD13 ' CE2' ' A' ' 69' ' ' TYR . 10.4 mm -144.4 125.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.41 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 3.8 m-20 -58.53 133.61 55.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -79.98 -4.24 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.36 -56.25 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -89.38 -11.66 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 61.03 29.2 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -135.79 146.98 59.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 156.46 63.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HE3' ' CG ' ' A' ' 72' ' ' ASP . 6.3 mptt -86.61 -7.61 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.14 3.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -160.29 152.49 20.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.462 ' HB2' ' CD1' ' A' ' 45' ' ' LEU . . . -160.86 178.41 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -131.0 122.8 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.509 HG22 ' CE2' ' A' ' 58' ' ' PHE . 17.6 t -109.86 124.5 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -111.44 102.67 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -77.67 157.78 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 mtp -74.64 -45.19 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -110.91 143.87 29.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -27.07 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLU . . . . . 0.418 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 8.6 pt-20 -61.15 -50.85 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.418 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 16.9 m170 -64.59 -41.53 96.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.57 -33.22 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.1 t -78.14 -50.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -50.67 -43.57 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.14 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 5.3 t80 -61.84 -20.95 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.71 -36.77 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -91.35 -58.87 2.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.461 HG12 ' CG2' ' A' ' 111' ' ' VAL . 77.6 t -45.8 -61.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -43.15 94.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.01 25.18 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.462 ' N ' ' HE3' ' A' ' 108' ' ' MET . 15.8 pt20 -118.54 145.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.19 142.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -137.37 115.98 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 51.61 30.46 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.74 30.54 35.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -133.51 115.1 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -64.96 100.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 81.6 mt -75.4 129.04 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' HIS . . . . . 0.485 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 14.0 m170 -115.7 115.22 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.461 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.1 t -104.45 144.85 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.54 151.92 48.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 133.2 25.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 t -91.73 139.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 117' ' ' LYS . 70.1 p -146.1 142.59 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.446 ' O ' ' C ' ' A' ' 117' ' ' LYS . 5.2 mp -55.9 84.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 115' ' ' THR . 1.7 ttmp? 33.99 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 116' ' ' ILE . 33.9 tttt -103.15 124.45 48.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -128.9 90.04 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.18 158.93 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -63.35 130.13 43.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -135.37 141.49 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -165.76 142.95 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.09 145.6 10.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.36 4.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 m -123.01 113.5 19.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' GLY . 30.2 t -117.98 120.79 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.09 141.69 43.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.63 136.29 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 13.6 t80 -89.33 113.98 25.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.56 146.35 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -147.34 174.36 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 70.67 54.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.9 mm? -100.29 126.06 46.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -65.25 132.67 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.23 -10.58 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 p -85.22 -9.86 57.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 t -82.34 150.41 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' GLU . 43.6 m -119.07 142.03 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' SER . 27.2 tt0 -34.78 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.6 tt0 -71.85 -52.65 16.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -44.4 -45.75 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD21 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -63.77 -48.61 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.5 mt-10 -45.05 -45.69 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -71.54 -42.33 68.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.07 -51.32 58.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.878 ' CE2' HG21 ' A' ' 84' ' ' VAL . 51.4 m-85 -79.93 -51.41 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 14.4 t -34.97 -48.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.95 -54.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -56.99 -38.28 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' SER . . . 174.76 -173.69 46.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.9 26.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 58' ' ' PHE . 54.7 mt -94.93 123.67 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 87' ' ' MET . 0.7 OUTLIER -69.57 -41.55 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -165.52 142.84 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -117.87 141.36 48.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -128.21 104.75 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 54' ' ' LEU . 1.8 t80 -120.52 93.58 48.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.76 139.57 40.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 77' ' ' LYS . 7.1 mm -139.61 127.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.19 133.38 39.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -76.63 -2.0 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -105.69 -61.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.1 p -80.72 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 29.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 71' ' ' ILE . 15.0 pttt -132.3 152.07 79.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.914 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.446 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.3 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' LYS . 3.9 mptt -95.45 3.01 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.51 29.16 17.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.03 151.53 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -157.43 166.06 34.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 40.6 m-85 -123.34 119.13 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 ' CE2' ' A' ' 58' ' ' PHE . 95.1 t -105.3 128.85 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -113.43 108.75 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -86.0 143.23 28.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.438 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -64.28 -46.95 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -112.15 146.05 34.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.7 12.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -49.78 -48.14 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -69.13 -47.57 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.51 -36.92 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.04 -48.81 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -54.6 -39.31 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.85 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 6.1 t80 -64.7 -18.27 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.69 -32.77 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -94.14 -56.6 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' GLY . 88.3 t -52.68 -52.0 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.27 85.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.21 27.25 1.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.51 ' CD ' HD12 ' A' ' 109' ' ' LEU . 1.6 pt20 -113.19 167.73 10.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.71 134.68 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -143.82 116.65 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 61.69 31.84 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.29 32.88 59.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -142.84 112.62 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.4 mtp -63.03 114.56 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' CD ' ' A' ' 102' ' ' GLN . 66.7 mt -79.23 129.85 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.8 125.19 53.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.415 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.1 t -119.58 132.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -132.32 148.31 69.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 125.87 12.68 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -81.3 145.51 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -146.8 160.1 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -108.54 131.81 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.4 t -132.66 132.94 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -133.42 176.96 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.4 t-20 70.07 51.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -93.78 130.43 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 p -74.18 121.78 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.46 -23.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.3 p -65.9 -40.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.0 m -69.74 146.09 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -113.94 158.51 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -43.64 -44.63 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.39 -47.94 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.74 -49.92 64.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.834 HD21 HD11 ' A' ' 45' ' ' LEU . 50.2 mt -55.35 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.4 mt-10 -44.54 -51.31 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -67.73 -46.73 71.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 tp -46.59 -62.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.666 ' CE2' HG21 ' A' ' 84' ' ' VAL . 64.5 m-85 -68.94 -48.52 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.9 t -38.21 -44.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.73 -51.67 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -60.37 -45.73 92.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.99 -173.48 39.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.24 44.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.7 121.67 42.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.683 ' HB3' HG22 ' A' ' 85' ' ' THR . 31.0 t -72.64 -44.14 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -161.28 145.02 13.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.425 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.3 tp -124.52 148.23 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -136.77 105.37 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' HD11 ' A' ' 71' ' ' ILE . 3.2 t80 -115.82 93.62 38.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.696 0.76 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.82 137.74 35.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 78' ' ' PRO . 8.9 mm -143.8 127.24 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.62 143.94 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t -86.18 -11.1 53.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -99.98 -56.64 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 p -82.1 -11.3 58.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.34 31.48 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -137.25 148.53 62.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.649 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.82 163.37 38.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.339 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.18 -1.52 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 36.44 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.9 p90 -156.99 152.22 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.74 174.5 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -128.31 118.63 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 58' ' ' PHE . 48.8 t -103.9 128.75 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.683 HG22 ' HB3' ' A' ' 65' ' ' SER . 90.7 m -120.71 118.79 30.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -94.71 157.49 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -44.19 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -113.34 145.7 33.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 Cg_endo -69.74 -38.77 7.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 12.6 pt-20 -50.44 -43.65 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 17.8 m170 -72.71 -45.88 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.95 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 89' ' ' PRO . 65.4 t -65.85 -49.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -53.18 -42.9 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -64.57 -48.67 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -58.29 -20.58 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.44 -37.4 21.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.33 -58.33 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.53 HG12 HG21 ' A' ' 111' ' ' VAL . 85.6 t -47.81 -57.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.39 15.24 21.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.402 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -95.53 149.85 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.2 127.65 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.493 ' HB2' HD11 ' A' ' 109' ' ' LEU . 9.3 t80 -130.65 100.29 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 69.49 25.94 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.77 32.96 31.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.97 116.95 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.439 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -66.83 99.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 44' ' ' ASN . 47.1 mt -77.56 118.15 19.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.39 109.74 21.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.53 HG21 HG12 ' A' ' 99' ' ' VAL . 18.7 t -98.98 115.45 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.78 144.07 27.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.48 32.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -81.53 136.68 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 92' ' ' ALA . 83.1 mt -140.93 144.21 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -101.91 131.78 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.7 t -133.0 143.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -144.67 171.79 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 109' ' ' LEU . 3.5 t-20 74.81 49.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.988 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -92.56 150.84 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -83.44 115.5 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.4 -44.17 3.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.8 p -56.15 -36.36 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -59.36 148.66 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.1 m -115.55 156.7 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.79 -43.63 3.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -56.97 -52.52 64.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD2' ' CE2' ' A' ' 104' ' ' PHE . 10.3 t0 -46.14 -46.8 17.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.988 HD21 HD11 ' A' ' 45' ' ' LEU . 28.8 mt -61.29 -51.11 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.509 ' HG3' HD22 ' A' ' 67' ' ' LEU . 33.8 mt-10 -49.13 -55.98 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -57.7 -48.87 78.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.585 HD11 HE22 ' A' ' 102' ' ' GLN . 21.2 tp -48.44 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HE1' HG11 ' A' ' 99' ' ' VAL . 62.8 m-85 -66.5 -58.71 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 42.9 t -34.79 -44.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.82 -49.52 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -62.19 -46.24 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.33 176.8 42.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.23 15.79 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.248 . . . . 0.0 112.393 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.1 163.43 15.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -111.92 -49.15 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.3 tp10 -151.21 144.81 24.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -123.12 148.8 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 41.8 t-80 -132.57 101.96 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.7 t80 -116.25 94.23 41.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.67 147.66 63.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mm -143.66 142.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.4 146.89 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -85.37 -8.83 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.56 -54.87 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -83.53 -8.4 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.67 30.67 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -136.8 155.39 76.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.514 0.674 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.38 66.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -20.26 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.63 43.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.7 p90 -163.0 148.4 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -161.44 164.94 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.93 115.16 20.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 67' ' ' LEU . 93.8 t -105.33 135.34 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -124.18 104.42 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.55 154.73 41.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.1 mmt -64.93 -48.82 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 91' ' ' HIS . 81.8 m-85 -110.38 147.53 36.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.692 0.758 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.44 7.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.72 -25.06 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 39.2 m170 -82.3 -44.9 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -51.73 -38.18 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.12 -58.72 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -45.34 -43.22 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.06 -48.97 40.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 1.4 t80 -54.5 -22.68 13.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.21 -41.9 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.57 -58.33 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.531 HG11 ' HE1' ' A' ' 58' ' ' PHE . 57.6 t -44.07 -55.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.73 100.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.08 29.88 7.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.585 HE22 HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -104.72 146.16 29.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.09 130.62 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 8.1 t80 -133.72 106.15 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 61.78 27.6 16.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.54 30.54 26.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -132.4 113.02 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 tpt -68.83 95.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 44' ' ' ASN . 34.8 mt -70.62 138.24 50.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -117.35 130.26 56.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.501 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.0 t -121.0 133.55 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.7 mt -135.8 143.62 45.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.62 14.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -92.69 135.83 33.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.84 136.51 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 15.1 t80 -95.09 129.56 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.62 132.98 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -132.38 175.47 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 71.98 47.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 54' ' ' LEU . 3.3 mm? -85.26 141.87 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' A' ' 107' ' ' ARG . 1.1 t -81.33 130.43 35.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -62.02 -19.25 62.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.979 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.7 p -81.92 -11.76 58.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.3 m -83.18 154.97 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.6 m -119.27 154.26 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -50.83 -38.01 46.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.94 -44.3 94.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 45' ' ' LEU . 15.5 mt -58.65 -52.47 65.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' SER . 48.4 mt-10 -45.66 -56.51 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 8.7 mptt -60.16 -51.95 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 tp -40.36 -68.06 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.5 m-85 -65.24 -48.82 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 28.3 t -38.45 -46.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.02 -44.72 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.72 177.45 42.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.47 3.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.78 140.61 51.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.2 t -94.82 -32.45 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.06 143.87 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.656 HD12 HG22 ' A' ' 84' ' ' VAL . 13.7 tp -123.62 146.68 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.83 101.26 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.67 93.61 33.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.677 0.751 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.73 142.21 47.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 78' ' ' PRO . 15.1 mm -143.37 131.26 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.72 147.84 31.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.8 m -91.14 -6.43 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -106.13 -48.61 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -91.34 -9.31 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER 53.07 25.08 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -129.27 147.03 63.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.486 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -4.18 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.22 4.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.6 p90 -159.63 152.66 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.85 172.62 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 22.4 m-85 -135.95 117.3 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 HD12 ' A' ' 67' ' ' LEU . 60.7 t -107.07 140.12 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 m -124.71 106.05 9.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -73.8 150.46 41.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.2 mtp -68.11 -42.08 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -111.99 144.05 29.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.57 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.616 ' CD ' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -55.45 -25.14 34.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CD2' ' CD ' ' A' ' 90' ' ' GLU . 54.9 m170 -85.36 -29.42 24.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.43 -34.91 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -54.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.07 -39.0 63.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.44 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.0 t80 -69.57 -20.24 63.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.14 -25.01 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.0 t -51.27 -55.94 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 10.9 p-10 -44.25 96.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.9 31.41 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.79 136.23 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.75 124.23 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.635 ' CB ' HD11 ' A' ' 109' ' ' LEU . 69.9 t80 -124.65 103.96 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 64.17 30.45 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.52 57.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 46' ' ' SER . 6.2 mmt180 -128.38 115.71 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.9 98.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.635 HD11 ' CB ' ' A' ' 104' ' ' PHE . 84.9 mt -73.68 123.39 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -109.39 125.29 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.81 136.19 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 113' ' ' PRO . 14.2 tp -134.59 138.59 30.31 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.7 Cg_endo -69.75 126.19 13.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.312 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -78.99 135.15 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 92' ' ' ALA . 28.3 mt -133.66 145.32 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -94.41 131.55 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -133.33 147.17 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -148.95 179.66 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.3 52.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm? -99.86 118.02 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -51.27 126.04 15.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.07 -29.19 57.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.8 p -64.71 -17.68 64.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -85.11 152.99 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.55 163.04 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.93 -33.2 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.88 -60.0 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.87 -49.19 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 69' ' ' TYR . 59.5 mt -54.66 -63.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' SER . 84.4 mt-10 -36.57 -54.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.46 -56.89 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 tp -38.24 -66.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.9 m-85 -66.05 -58.08 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 29.7 t -35.54 -35.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -49.09 -49.41 41.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -61.36 -39.46 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.44 179.51 45.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.5 14.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -86.31 165.67 16.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -117.89 -42.52 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.9 tt0 -157.48 145.94 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' HG3' ' A' ' 55' ' ' GLU . 20.4 tp -127.93 147.14 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.584 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 31.0 t-80 -132.42 104.5 6.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -117.25 93.5 42.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.75 140.66 43.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 70' ' ' PRO . 25.3 mm -138.7 127.13 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -59.5 128.58 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.0 m -76.52 2.68 13.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.9 mt -104.9 -56.19 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -90.27 -13.55 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt 64.78 29.61 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -138.67 147.92 56.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.503 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.5 Cg_endo -69.72 136.58 33.46 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -65.87 -30.1 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.2 46.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 8.1 p90 -163.03 147.18 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.45 157.52 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -111.15 118.54 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.33 129.46 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -117.35 109.05 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.73 149.75 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.595 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -64.42 -48.82 73.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -111.37 149.43 40.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 17.1 pt-20 -48.29 -46.28 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 19.2 m170 -65.54 -44.67 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -52.55 -17.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.3 t -81.93 -46.35 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -59.33 -50.98 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -54.91 -41.24 70.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.09 -27.9 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.36 -54.52 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 87.1 t -51.74 -55.06 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -55.07 82.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 127.03 22.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.424 ' CD ' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -115.73 159.15 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.6 t -109.13 134.84 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB2' HD11 ' A' ' 109' ' ' LEU . 19.6 t80 -127.86 120.02 26.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 45.36 36.28 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.71 31.12 41.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -139.94 111.65 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 mtp -63.18 118.1 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 104' ' ' PHE . 72.4 mt -86.09 125.76 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.93 130.43 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.433 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.5 t -126.84 130.4 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -127.81 143.94 49.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.3 22.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.818 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -76.62 129.17 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.12 139.67 53.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -90.43 116.11 28.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.22 131.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -132.77 175.41 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 109' ' ' LEU . 1.9 t30 74.8 55.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.852 HD11 HD21 ' A' ' 54' ' ' LEU . 4.6 mm? -99.23 122.55 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.46 126.9 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -51.79 -27.05 11.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 m -67.35 152.57 45.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 166.21 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.81 -48.35 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.08 -51.08 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -46.61 -55.69 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 45' ' ' LEU . 38.7 mt -52.27 -53.45 43.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' SER . 49.1 mt-10 -41.78 -53.86 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -62.55 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.7 tp -36.37 -68.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.666 ' HE2' HD22 ' A' ' 54' ' ' LEU . 86.1 m-85 -61.62 -49.81 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.9 t -39.06 -41.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.33 -46.19 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.52 -39.0 91.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.14 44.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 87' ' ' MET . 54.4 Cg_endo -69.68 151.67 69.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.731 2.287 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.35 124.21 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 t -74.03 -37.46 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -170.14 144.23 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.68 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -120.68 142.65 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 35.1 t-80 -131.55 111.1 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -122.79 93.91 47.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.77 48.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HD3' ' A' ' 78' ' ' PRO . 11.9 mm -143.96 129.04 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 4.7 m-20 -54.84 145.33 20.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.1 p -88.6 -13.38 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.68 -51.99 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 p -82.08 -25.09 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm 69.43 35.52 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -145.55 154.67 52.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.75 152.75 69.42 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.389 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 8.9 mptt -79.39 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.22 31.32 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 2.6 p90 -157.59 157.08 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.89 176.25 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -132.36 112.99 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 67' ' ' LEU . 88.9 t -108.15 126.52 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.33 136.0 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.585 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 30.2 m-85 -110.45 146.11 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 63' ' ' PRO . 10.9 mtm -66.66 -45.61 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -106.56 141.52 22.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.511 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.74 -44.36 2.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.0 pt-20 -46.28 -49.28 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 18.0 m170 -68.93 -44.57 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -55.21 -27.62 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 89' ' ' PRO . 98.2 t -77.76 -54.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -47.78 -42.98 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.2 -42.91 79.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 3.3 t80 -65.68 -23.08 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -31.72 31.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.48 -58.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 111' ' ' VAL . 94.0 t -44.47 -48.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.72 96.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.39 30.24 4.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.31 155.87 26.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -102.67 134.71 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.8 t80 -132.67 100.27 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 62.34 45.16 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.09 25.4 75.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -135.5 111.66 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 9.0 mtp -67.21 116.55 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 104' ' ' PHE . 55.7 mt -85.92 123.81 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.51 117.99 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.548 ' CG2' HG12 ' A' ' 99' ' ' VAL . 13.8 t -108.47 137.65 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -135.82 138.01 26.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.563 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.5 Cg_endo -69.77 130.83 20.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.868 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.72 132.63 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -139.25 132.04 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -91.34 126.93 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -130.29 144.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 22.6 ptt180 -140.92 175.47 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.43 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.0 t-20 72.45 50.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.883 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -92.28 134.68 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 p -72.72 129.11 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.86 -31.57 50.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -68.12 -22.14 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -72.12 150.79 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -123.63 159.61 28.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG2' HD23 ' A' ' 67' ' ' LEU . 19.9 tt0 -47.11 -32.63 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.91 -60.69 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -42.42 -48.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 45' ' ' LEU . 49.1 mt -62.11 -56.98 13.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 67' ' ' LEU . 18.2 mt-10 -38.61 -55.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 3.6 mptp? -59.66 -57.66 11.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LYS . 30.8 tp -36.07 -64.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' HE2' HD22 ' A' ' 54' ' ' LEU . 94.5 m-85 -66.43 -52.69 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' PHE . 3.3 t -36.98 -46.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -50.46 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -60.43 -40.46 91.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.69 -179.9 45.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 129.97 18.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.94 133.37 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.4 t -86.04 -35.58 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -170.56 139.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.581 HD22 ' HG3' ' A' ' 55' ' ' GLU . 16.3 tp -117.65 144.72 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -129.12 101.1 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.5 t80 -114.43 93.57 32.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.916 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.11 39.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.493 HD12 ' HD3' ' A' ' 78' ' ' PRO . 13.6 mm -136.83 140.82 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.58 143.31 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 t -84.12 -7.9 59.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.72 -59.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -76.08 -17.16 59.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 61.46 32.37 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -142.66 151.24 56.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.4 Cg_endo -69.77 140.53 42.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.392 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -67.23 -16.49 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.8 43.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -161.78 149.21 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.36 171.33 19.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -129.44 118.91 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.1 t -104.93 119.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -110.65 117.01 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -89.39 161.42 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.0 mtt -76.98 -43.1 36.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -114.99 149.26 42.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.83 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.4 pt-20 -44.18 -51.51 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.556 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 14.3 m170 -67.5 -42.86 82.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.23 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.78 -46.46 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -54.58 -47.23 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.09 69.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE1' ' HD3' ' A' ' 113' ' ' PRO . 5.5 t80 -56.34 -20.44 19.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.02 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -93.68 -59.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.486 HG13 ' OE1' ' A' ' 102' ' ' GLN . 46.6 t -47.35 -56.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -48.68 92.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 113.32 21.07 5.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.486 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.6 pt20 -111.62 146.15 37.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.86 126.48 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.409 ' CB ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -123.47 96.42 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 72.16 28.46 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.59 23.16 56.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -122.87 116.52 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.448 ' HE2' ' HA ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -68.17 94.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 44' ' ' ASN . 78.4 mt -70.41 135.73 48.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.442 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -120.01 112.22 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.17 128.38 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.53 HD12 ' HD2' ' A' ' 113' ' ' PRO . 10.9 tp -126.4 138.48 32.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' HD12 ' A' ' 112' ' ' LEU . 54.1 Cg_endo -69.77 138.62 38.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -79.15 145.27 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' A' ' 92' ' ' ALA . 41.9 mt -138.39 151.05 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 18.1 t80 -105.46 109.71 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 t -111.86 131.97 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -133.61 173.45 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.68 52.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -96.87 138.75 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 p -79.79 124.7 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -47.11 -40.72 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -53.37 -31.93 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 m -68.57 144.47 54.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.6 m -112.12 147.34 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 37.0 tt0 -34.57 -36.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' SER . 40.0 tt0 -65.13 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLU . 11.2 t0 -35.06 -38.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 45' ' ' LEU . 20.8 mt -64.82 -55.4 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.701 ' HG3' HD22 ' A' ' 67' ' ' LEU . 23.6 mt-10 -54.04 -46.46 71.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.66 -27.98 69.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -75.03 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.818 ' CE2' HG21 ' A' ' 84' ' ' VAL . 49.8 m-85 -65.89 -52.09 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 38.9 t -41.04 -29.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.27 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.24 -21.19 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.54 -173.81 38.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.88 58.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -104.19 163.87 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -115.41 -45.7 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.52 147.42 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.701 HD22 ' HG3' ' A' ' 55' ' ' GLU . 12.3 tp -125.38 142.41 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.545 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 8.9 t-80 -130.72 100.98 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -113.31 93.98 29.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.718 0.771 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.76 137.48 35.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.1 mm -140.58 132.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.7 147.52 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -84.63 -16.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.69 -59.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.0 p -75.18 -17.2 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 59.15 28.05 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -133.69 155.64 80.26 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 162.54 41.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -89.82 -13.34 36.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 33.38 2.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 4.2 p90 -162.94 158.49 22.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.84 175.59 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 56.7 m-85 -128.74 120.33 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.818 HG21 ' CE2' ' A' ' 58' ' ' PHE . 39.1 t -111.67 129.09 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 m -116.55 104.03 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 49.0 m-85 -71.71 160.77 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.583 ' HE2' ' HA ' ' A' ' 87' ' ' MET . 2.1 mmt -69.33 -48.39 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -110.24 147.98 37.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.69 -33.58 16.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 91' ' ' HIS . 18.1 pt-20 -61.14 -47.04 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 90' ' ' GLU . 27.0 m170 -63.09 -48.31 79.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -50.36 -35.1 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 89' ' ' PRO . 96.3 t -67.56 -48.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.7 76.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -60.65 -19.96 59.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.23 -35.08 20.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.01 -58.84 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 59.8 t -47.59 -52.26 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.63 88.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.09 23.42 2.45 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.76 153.51 28.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -96.8 141.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.467 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.4 t80 -133.76 108.51 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 52.77 28.62 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.21 32.26 12.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -136.5 123.12 20.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.23 97.85 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 104' ' ' PHE . 99.0 mt -67.54 124.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 9.3 m170 -109.06 111.2 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.91 138.25 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.05 135.1 14.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 54.1 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.39 138.63 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.22 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.05 139.0 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -139.76 -178.64 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.72 50.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -93.37 132.57 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -70.54 115.97 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -44.37 -25.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.0 p -67.71 -40.26 84.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 153.04 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -118.08 158.16 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -42.65 -40.71 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.12 -56.91 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.9 -46.68 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 32.9 mt -59.76 -51.83 68.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' SER . 17.4 mt-10 -44.27 -57.61 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 7.1 mptt -59.31 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -39.67 -66.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' SER . 59.9 m-85 -66.14 -53.39 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 18.0 t -35.52 -39.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.21 8.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.53 45.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.11 29.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 mt -96.0 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 t -92.79 -46.99 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -154.14 145.84 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.2 tp -124.5 148.0 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.524 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 6.1 t-80 -135.11 104.64 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -119.14 100.25 50.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.7 Cg_endo -69.73 138.15 37.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.474 HD13 ' O ' ' A' ' 70' ' ' PRO . 22.7 mm -140.95 123.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.06 131.84 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -75.97 -1.96 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 35.6 mt -103.91 -55.89 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 p -90.68 -1.58 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER 51.37 27.11 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -131.88 149.85 74.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.84 151.68 68.69 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -77.1 -12.32 59.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.52 34.23 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 3.2 p90 -155.75 151.03 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.355 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.76 173.98 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -133.16 117.19 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.0 t -105.29 136.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.0 m -124.96 103.23 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 27.5 m-85 -72.73 152.58 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.8 mtp -69.22 -44.31 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.48 144.81 33.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.5 Cg_endo -69.79 -33.56 16.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 15.6 pt-20 -60.57 -32.29 71.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.557 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 28.7 m170 -81.21 -48.2 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -49.86 -38.78 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 89' ' ' PRO . 95.3 t -65.3 -50.77 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -53.97 -40.25 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.42 -52.99 18.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.1 t80 -53.07 -20.84 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.96 -40.67 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.02 -59.34 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' GLN . 57.4 t -45.03 -63.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' VAL . 2.5 t70 -36.7 95.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.86 20.47 8.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -103.83 130.22 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.7 t -79.66 141.95 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 109' ' ' LEU . 20.4 t80 -139.76 105.15 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.45 27.56 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 32.23 14.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -136.49 122.44 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.2 98.09 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 104' ' ' PHE . 71.0 mt -73.81 117.9 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.0 138.19 39.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.7 t -130.42 123.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 112' ' ' LEU . 3.6 mm? -116.72 144.13 32.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 1.3 tmm_? -75.02 137.82 41.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 92' ' ' ALA . 18.4 mt -141.45 153.51 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 14.0 t80 -97.77 125.82 42.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.86 141.77 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -141.74 173.62 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 108' ' ' MET . 2.6 t-20 73.95 47.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -89.52 131.16 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 p -75.29 128.69 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.82 -17.4 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 p -77.98 -29.15 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 t -59.34 156.73 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.8 m -122.17 139.81 53.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt0 -41.51 -26.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 6.0 tm-20 -86.72 -41.2 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.0 t0 -55.52 -35.36 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 45' ' ' LEU . 31.4 mt -67.28 -57.18 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.654 ' OE1' HD12 ' A' ' 64' ' ' LEU . 5.7 mm-40 -40.29 -47.07 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -65.19 -45.91 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.0 tp -51.57 -60.45 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.678 ' HE1' HD22 ' A' ' 54' ' ' LEU . 96.0 m-85 -68.66 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.0 t -46.16 -43.85 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.88 -33.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.94 -41.09 30.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 -178.86 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.8 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' OE1' ' A' ' 55' ' ' GLU . 54.3 mt -86.26 134.49 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 t -86.2 -43.68 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 tp10 -156.96 149.43 23.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 13.7 tp -120.48 147.15 45.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.439 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 11.6 t-80 -133.61 100.83 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' A' ' 71' ' ' ILE . 4.4 t80 -118.42 98.93 51.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.74 136.73 33.79 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 78' ' ' PRO . 9.7 mm -142.4 126.58 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -52.36 145.82 10.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -85.0 -11.81 54.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.14 -57.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 p -75.75 -20.94 57.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 62.93 32.23 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' C ' HG23 ' A' ' 71' ' ' ILE . 28.2 mtmm -137.24 153.99 75.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.461 ' CA ' HD13 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.76 152.79 69.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -82.26 -7.43 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.11 34.76 4.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 15.3 p90 -160.03 156.74 27.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.94 169.56 20.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 35.4 m-85 -128.24 119.5 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.55 134.86 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -122.95 111.88 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -85.71 162.17 18.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.36 -47.33 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.99 147.5 34.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.3 -23.77 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 65.3 m170 -77.9 -37.73 47.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -67.16 -29.14 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.4 t -68.26 -55.83 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -53.5 -39.53 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -69.94 -49.33 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -61.43 -22.88 65.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.79 -59.12 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ALA . 65.9 t -45.38 -52.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -48.73 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 111.43 32.34 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.99 128.86 55.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.94 136.07 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' A' ' 109' ' ' LEU . 54.8 t80 -136.37 114.79 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 57.12 26.23 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.39 32.88 18.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -139.42 115.86 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.9 tpt -63.23 96.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 104' ' ' PHE . 60.1 mt -67.58 122.34 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -109.13 131.05 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.65 ' C ' HD22 ' A' ' 112' ' ' LEU . 11.3 t -120.89 133.42 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.0 mm? -128.63 143.99 50.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.12 15.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.242 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -119.0 142.27 47.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -102.62 130.86 49.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.3 144.82 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 179.09 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.1 t-20 67.44 50.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.021 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -90.64 136.01 33.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -73.63 123.83 24.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.55 -20.17 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -72.6 -34.44 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.1 m -72.38 154.87 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -120.58 154.44 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CG ' HD23 ' A' ' 67' ' ' LEU . 32.0 tt0 -37.82 -33.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 21.0 tt0 -63.35 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLU . 1.1 m-20 -35.83 -52.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.021 HD21 HD11 ' A' ' 45' ' ' LEU . 73.5 mt -53.11 -60.71 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HG3' HD22 ' A' ' 67' ' ' LEU . 67.1 mt-10 -38.47 -53.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -64.5 -59.41 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' LYS . 12.3 tp -36.42 -57.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -69.98 -46.34 65.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -43.0 -37.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.77 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.74 -35.64 72.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.5 -176.68 47.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.35 21.0 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 55' ' ' GLU . 67.6 mt -91.26 152.46 20.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -103.45 -44.5 5.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -160.13 148.38 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.5 tp -129.06 142.8 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -127.24 105.06 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -112.61 93.61 24.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.573 ' CG ' ' CE1' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.8 141.9 46.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 72' ' ' ASP . 3.8 mm -140.39 154.29 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 2.5 t70 -82.66 131.65 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 t -76.41 2.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -105.28 -59.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p -90.11 -11.66 40.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 62.89 26.76 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -127.08 148.54 66.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.71 31.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -66.63 -15.8 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.3 38.7 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CE1' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.19 145.13 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.72 167.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.08 120.62 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 67' ' ' LEU . 62.5 t -106.27 119.92 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.7 m -109.25 104.43 13.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -76.99 152.31 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -61.56 -46.41 90.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.15 145.96 37.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.33 7.89 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' HIS . 17.2 pt-20 -52.72 -44.59 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 42.7 m170 -69.99 -41.61 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.92 66.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.52 -47.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -55.99 -41.49 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.17 81.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.73 -22.21 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.85 -26.36 24.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -99.85 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 90.4 t -53.14 -58.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -39.0 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 112.0 29.77 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -109.15 156.95 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.29 139.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.559 ' HB2' HD11 ' A' ' 109' ' ' LEU . 5.7 t80 -141.79 109.27 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 57.18 27.91 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.14 31.98 33.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.3 mmp_? -130.01 113.73 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -64.52 101.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 104' ' ' PHE . 56.9 mt -79.95 132.57 36.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.585 ' CE1' ' SD ' ' A' ' 108' ' ' MET . 0.7 OUTLIER -115.53 136.28 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.28 130.12 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 113' ' ' PRO . 8.3 tp -129.96 139.8 36.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.8 Cg_endo -69.73 130.79 20.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -75.13 135.7 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 92' ' ' ALA . 82.9 mt -145.38 132.77 20.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.503 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 26.0 t80 -91.67 129.82 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -130.97 149.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -147.82 171.37 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.15 54.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.586 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.7 mm? -101.42 106.51 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -42.27 120.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.4 -28.39 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -61.42 -34.67 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -66.26 154.83 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -120.71 159.67 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -39.94 -45.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.33 -49.74 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.9 -31.62 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 45' ' ' LEU . 43.0 mt -77.65 -51.17 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.5 mt-10 -51.93 -53.34 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.08 -59.16 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.612 ' CE2' HG21 ' A' ' 84' ' ' VAL . 69.1 m-85 -70.79 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 12.7 t -37.26 -50.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.8 -44.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -65.18 -41.35 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -170.51 176.69 43.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.6 Cg_endo -69.76 124.21 10.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.9 mt -83.71 161.95 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -119.5 -37.16 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -159.05 146.94 17.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -132.79 144.98 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -133.24 102.47 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.1 t80 -117.01 93.62 42.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 53.4 Cg_endo -69.74 148.33 64.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.539 HD12 ' HD3' ' A' ' 78' ' ' PRO . 22.1 mm -139.94 143.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 75' ' ' THR . 8.5 t0 -68.87 132.4 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -76.08 -6.45 51.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -107.32 -55.16 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 72' ' ' ASP . 6.6 p -84.63 -5.92 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.5 27.22 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -135.07 151.29 75.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.539 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.72 145.51 57.62 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -68.36 -20.1 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 42.88 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 18.1 p90 -162.43 150.98 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -161.16 161.55 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 12.8 m-85 -117.94 119.27 34.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.612 HG21 ' CE2' ' A' ' 58' ' ' PHE . 61.4 t -102.99 133.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.8 m -121.66 100.87 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 32.8 m-85 -73.67 153.2 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.33 -39.82 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -119.85 151.82 52.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.72 -46.42 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -54.13 -32.24 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 47.5 m170 -80.72 -26.9 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.547 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -78.56 -13.29 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PRO . 85.1 t -84.42 -47.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -53.65 -46.87 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.57 -50.56 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -63.78 -18.19 63.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.64 -36.88 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.4 -56.38 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.58 HG13 ' OE1' ' A' ' 102' ' ' GLN . 66.6 t -51.07 -54.02 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -49.67 98.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.12 5.6 13.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.416 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.58 ' OE1' HG13 ' A' ' 99' ' ' VAL . 1.4 pt20 -102.4 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -117.17 135.99 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -125.95 105.15 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 68.22 32.32 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.55 26.08 55.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -134.19 114.21 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.3 mtp -60.94 116.61 4.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -80.2 122.56 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.65 122.77 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 134.57 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.2 mt -133.45 143.24 47.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.52 10.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.862 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -74.72 139.43 43.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.58 126.58 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -84.89 127.62 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 38.9 t -124.4 142.79 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -140.33 165.69 26.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 2.5 t-20 74.96 54.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.5 mm? -97.02 111.36 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -53.96 127.94 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -48.43 -42.97 33.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -53.84 -28.61 36.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 m -69.71 142.93 53.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -113.56 159.4 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.0 -48.03 64.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.59 -48.84 76.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.46 -42.65 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 45' ' ' LEU . 54.8 mt -59.4 -56.93 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -39.51 -55.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -58.67 -45.16 90.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.13 -54.92 37.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 84' ' ' VAL . 71.5 m-85 -73.33 -63.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' PHE . 77.4 p -34.39 -37.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -42.41 -52.11 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -59.33 -44.38 92.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.31 -177.65 41.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.48 6.42 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 58' ' ' PHE . 87.1 mt -79.98 150.26 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.78 ' HB3' HG22 ' A' ' 85' ' ' THR . 35.1 t -96.04 -45.67 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -158.56 153.27 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD1' HG22 ' A' ' 84' ' ' VAL . 11.8 tp -132.98 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -132.47 102.05 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -108.3 93.61 11.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.689 0.756 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.71 136.9 34.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 mm -136.96 140.59 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -72.67 140.54 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 m -86.29 0.45 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.13 -50.85 3.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 p -98.9 1.38 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 3.6 mptt 46.18 26.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -129.84 146.16 60.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 142.1 46.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -70.85 -14.23 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -160.07 148.44 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.06 164.39 30.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.79 118.62 33.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.647 HG21 ' CE2' ' A' ' 58' ' ' PHE . 84.8 t -108.72 123.61 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.78 HG22 ' HB3' ' A' ' 65' ' ' SER . 96.3 m -111.1 138.73 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -108.27 152.32 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -72.05 -47.42 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -109.48 143.57 28.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 pm0 -49.15 -31.58 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -81.14 -46.39 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.29 -26.53 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.19 -49.87 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -50.49 -47.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.5 -52.75 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -53.45 -21.94 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.04 -38.47 24.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.62 -59.48 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.555 ' CG1' HG21 ' A' ' 111' ' ' VAL . 58.8 t -42.68 -59.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -45.15 108.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.51 14.57 32.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.539 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -97.44 161.04 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.09 133.51 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -135.36 107.91 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 65.42 35.23 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.71 63.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -134.74 112.83 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.5 mtp -65.46 116.48 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 ' OE1' ' A' ' 102' ' ' GLN . 41.0 mt -87.79 121.34 30.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.06 113.07 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.555 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.5 t -105.98 132.39 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt -132.82 143.32 48.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.31 15.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -80.23 150.37 30.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -147.99 137.91 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 13.4 t80 -87.6 121.03 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -119.67 141.99 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -144.99 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 108' ' ' MET . 1.8 t-20 71.65 54.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 mm? -104.79 111.13 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 107' ' ' ARG . 1.5 t -52.45 133.68 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.13 -25.58 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -65.21 -14.09 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -82.58 145.42 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -118.35 148.3 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.27 -42.23 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.32 -47.11 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.0 -47.58 74.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CE1' ' A' ' 69' ' ' TYR . 76.8 mt -61.45 -49.99 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -45.54 -57.78 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 11.9 mptt -57.06 -49.12 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.5 tp -46.62 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CB ' HD21 ' A' ' 64' ' ' LEU . 76.3 m-85 -59.16 -36.78 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -51.43 -39.18 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.18 -48.15 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -64.2 -30.54 71.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.76 171.62 40.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.42 6.37 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 58' ' ' PHE . 55.1 mt -77.19 125.66 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.3 p -86.52 -27.01 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -169.9 139.18 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.43 147.52 44.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -133.36 101.07 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.3 t80 -116.24 93.73 40.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 ' O ' ' A' ' 70' ' ' PRO . 19.8 mm -140.91 148.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.34 135.73 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 p -78.5 -0.34 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.89 -58.34 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -85.19 -15.04 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 61.53 29.48 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' C ' HG23 ' A' ' 71' ' ' ILE . 33.5 mttt -132.28 150.99 77.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.408 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.81 136.8 33.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.389 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -65.89 -26.74 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.63 38.13 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.527 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 9.5 p90 -162.49 146.01 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.57 167.08 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 34.6 m-85 -124.6 116.98 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.21 140.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.4 m -127.72 109.01 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.16 137.25 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.5 ttm -55.27 -48.43 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -111.82 143.88 29.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.69 -33.46 16.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.35 -48.01 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.66 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' PRO . 93.1 t -78.92 -49.82 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.47 -54.46 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.72 -51.21 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.37 -18.2 48.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.63 -31.28 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.16 -59.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.719 HG13 ' OE1' ' A' ' 102' ' ' GLN . 42.2 t -48.47 -58.98 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.34 104.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.87 22.56 8.79 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.719 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.4 pt20 -115.4 163.5 15.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -108.35 139.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.638 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.9 t80 -138.04 110.93 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 61.76 28.76 17.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.25 25.19 44.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 46' ' ' SER . 16.8 mtt-85 -134.24 123.0 23.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.448 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 4.1 tpt -68.19 105.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' PHE . 31.3 mt -70.28 124.61 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 107.28 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 t -102.37 128.47 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -127.7 141.6 41.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.25 37.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -96.07 145.73 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -144.31 126.74 15.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.15 130.51 35.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 21.7 t -129.49 141.37 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 9.8 ptp180 -140.83 169.87 16.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 80' ' ' GLY . 2.4 t-20 74.23 46.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.011 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -86.08 146.7 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.59 127.68 34.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -39.82 66.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -59.99 -14.03 14.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 m -83.2 146.04 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' GLU . 39.9 m -114.99 148.45 38.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -37.66 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -76.58 -47.19 23.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.8 m-20 -49.59 -44.16 46.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 45' ' ' LEU . 28.1 mt -61.41 -56.42 20.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.675 ' HG3' HD22 ' A' ' 67' ' ' LEU . 28.2 mt-10 -43.78 -52.11 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -56.79 -32.42 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.659 HD22 ' CE1' ' A' ' 104' ' ' PHE . 10.3 tp -76.3 -55.8 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.667 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 40.6 m-85 -71.88 -59.9 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 4.8 t -40.58 -41.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.45 -42.94 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -67.97 -42.32 81.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.02 177.92 42.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 118.6 5.78 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 86' ' ' PHE . 69.4 mt -80.19 129.29 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.2 t -87.75 -28.04 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -168.88 137.25 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.6 tp -121.58 144.27 48.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.887 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.7 t-80 -125.05 118.99 27.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.2 t80 -132.23 93.61 25.61 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.641 0.734 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.8 139.97 41.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.427 ' CG2' ' C ' ' A' ' 76' ' ' LYS . 6.0 mm -142.58 127.93 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.79 131.13 50.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -76.18 2.19 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.04 -55.3 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -95.08 -15.36 23.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 71' ' ' ILE . 21.1 mmtp 67.61 26.05 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -125.36 145.53 51.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.98 64.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -1.3 57.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ASN . . . 91.93 39.43 5.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -158.77 150.31 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.92 175.5 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -132.01 119.16 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.0 t -104.42 142.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m -133.57 108.82 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CE1' HD23 ' A' ' 64' ' ' LEU . 34.6 m-85 -81.94 143.97 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.1 ttm -56.85 -37.36 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.73 147.95 57.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -38.19 -44.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -71.7 -47.78 51.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 -29.72 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.27 -51.02 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.37 -42.39 73.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.36 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -65.59 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.92 -33.53 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.77 -59.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' CG2' ' A' ' 111' ' ' VAL . 85.3 t -42.78 -55.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 9.4 p-10 -50.71 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.45 24.22 7.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.435 ' N ' ' HE1' ' A' ' 108' ' ' MET . 0.7 OUTLIER -110.54 152.07 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.9 t -99.44 126.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.659 ' CE1' HD22 ' A' ' 57' ' ' LEU . 8.4 t80 -105.86 99.05 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' PHE . 3.6 pt20 48.37 26.61 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.46 29.83 5.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 8.4 mmp_? -133.15 115.46 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.435 ' HE1' ' N ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -71.7 94.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 104' ' ' PHE . 52.7 mt -74.0 123.36 24.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -106.45 103.25 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.597 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.4 t -92.93 139.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -143.95 138.0 14.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.78 130.91 20.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.39 130.04 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 92' ' ' ALA . 56.1 mt -141.36 131.82 25.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -85.84 125.2 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 t -122.74 141.3 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.84 170.51 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 74.74 54.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.869 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -95.69 117.9 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 p -57.23 129.08 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.53 -12.91 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -89.38 0.0 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -93.63 135.81 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' GLU . 16.8 m -102.2 140.13 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' SER . 34.9 tt0 -37.13 -33.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' SER . 50.0 tt0 -66.6 -50.72 62.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 4.4 m-20 -49.98 -52.44 33.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.869 HD21 HD11 ' A' ' 45' ' ' LEU . 33.6 mt -54.88 -48.83 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' SER . 61.8 mt-10 -46.63 -54.18 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -63.53 -45.7 89.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.72 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HE2' HD22 ' A' ' 54' ' ' LEU . 85.9 m-85 -67.57 -44.07 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 25.9 t -46.73 -31.84 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.6 72.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 92.6 m-85 -74.72 -44.03 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.86 169.63 39.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 112.99 3.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt -71.88 136.31 46.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -94.37 -37.97 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -154.3 139.2 17.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.4 tp -125.25 141.24 52.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.8 t60 -125.96 104.27 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -118.98 93.67 47.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.74 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.579 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 70' ' ' PRO . 23.3 mm -141.36 125.22 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.24 136.39 56.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -81.62 0.14 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 61.9 mt -106.4 -55.12 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.414 ' C ' ' HD3' ' A' ' 76' ' ' LYS . 6.2 p -87.41 -12.25 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 60.48 31.97 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -136.45 151.04 72.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.74 167.41 24.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 0.74 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.97 37.0 7.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -162.98 153.39 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.9 166.32 24.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -119.34 120.49 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.418 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.8 t -105.29 125.31 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 m -116.42 102.36 9.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -75.63 151.28 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.37 -32.65 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -124.15 146.29 50.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -38.94 6.94 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -52.77 -42.61 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -68.58 -51.4 43.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -42.83 -41.57 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.64 -50.96 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -49.63 -60.26 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.66 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.07 -17.73 54.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.66 -25.89 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -100.47 -58.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 101' ' ' GLY . 63.9 t -52.01 -52.26 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -49.14 87.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 114.35 28.69 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.451 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' HD12 ' A' ' 109' ' ' LEU . 1.2 pt20 -118.51 150.32 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -96.9 140.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.0 110.16 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 58.33 34.65 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.02 31.27 55.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -141.0 112.15 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.6 mtp -65.63 117.48 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 102' ' ' GLN . 38.8 mt -82.5 125.33 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.96 120.78 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.8 135.23 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.1 tp -130.76 138.26 32.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.62 0.724 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.3 Cg_endo -69.77 126.25 13.08 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.788 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -79.29 140.91 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 92' ' ' ALA . 32.1 mt -145.06 139.52 27.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -86.32 131.74 34.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.1 130.86 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -133.07 166.7 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 3.5 t-20 74.95 54.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.998 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -95.14 107.41 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -47.0 124.78 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.801 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.75 -29.84 41.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -67.99 -21.99 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -78.62 151.38 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' ASP . 1.8 m -112.15 172.55 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.12 -34.51 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.66 -57.25 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -46.44 -53.55 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 45' ' ' LEU . 40.4 mt -47.18 -54.86 9.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' SER . 46.8 mt-10 -46.11 -53.53 10.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 1.1 mptm? -61.74 -55.22 32.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.1 tp -39.82 -66.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.538 ' HE2' HD22 ' A' ' 54' ' ' LEU . 80.2 m-85 -65.67 -47.54 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 t -35.76 -41.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -59.57 -44.07 93.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.77 171.83 42.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 60.5 mt -68.11 129.57 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t -87.71 -35.53 17.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -161.58 148.69 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.452 HD22 ' HG2' ' A' ' 55' ' ' GLU . 14.3 tp -130.6 143.98 51.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -129.6 100.97 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.91 93.64 38.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.721 0.772 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.78 137.91 36.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 70' ' ' PRO . 14.4 mm -138.77 129.35 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.39 125.01 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -71.39 -1.72 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.3 -55.54 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 p -91.03 -3.54 57.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 51.22 34.32 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -138.08 150.95 68.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.43 45.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -89.58 -4.56 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.36 38.42 4.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 4.3 p90 -162.57 153.23 17.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.02 167.16 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -124.76 117.58 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.6 t -103.23 134.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.3 m -122.22 112.6 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 25.4 m-85 -86.34 138.44 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.409 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 23.1 ttm -51.29 -48.36 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 87' ' ' MET . 34.6 m-85 -114.97 149.82 43.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.74 -37.96 8.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.754 2.303 . . . . 0.0 112.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 10.3 pt-20 -48.67 -48.51 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 15.3 m170 -70.64 -50.49 36.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -48.56 -31.96 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 89' ' ' PRO . 83.8 t -73.85 -44.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -57.94 -41.28 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.33 86.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.41 -21.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.86 28.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -98.06 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLY . 94.6 t -47.9 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 99' ' ' VAL . 25.6 t0 -34.44 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.19 11.42 9.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.535 ' CG ' HD12 ' A' ' 109' ' ' LEU . 3.8 pt20 -94.57 165.3 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.743 HG22 ' SD ' ' A' ' 108' ' ' MET . 48.5 t -118.12 132.86 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 109' ' ' LEU . 2.9 t80 -129.95 111.32 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 60.16 40.84 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.46 73.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -130.5 111.68 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.743 ' SD ' HG22 ' A' ' 103' ' ' VAL . 44.7 mmm -61.46 124.67 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 104' ' ' PHE . 69.9 mt -97.28 122.1 39.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.13 99.53 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 ' CG1' ' A' ' 99' ' ' VAL . 14.8 t -90.07 124.54 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.5 mm? -115.53 144.76 33.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.42 17.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 2.0 tmm_? -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 mt -145.4 164.58 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -117.63 117.29 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.2 146.39 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt-85 -148.07 178.27 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 72.15 41.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.453 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.6 mm? -87.84 130.23 34.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.99 120.61 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -45.8 -45.07 14.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.7 p -51.4 -34.6 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.5 m -64.27 151.25 44.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 m -116.33 162.98 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.63 -44.4 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.69 -38.5 75.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.05 -42.15 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 45' ' ' LEU . 63.9 mt -64.86 -53.9 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.0 mt-10 -38.61 -56.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -59.59 -55.44 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.76 -67.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 84' ' ' VAL . 76.4 m-85 -62.94 -54.04 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 9.1 t -35.82 -44.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.22 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -59.68 -44.55 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.86 41.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.88 34.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.17 128.87 44.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -81.83 -43.06 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.0 tp10 -155.44 155.35 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 18.9 tp -136.04 144.54 45.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -138.68 108.12 6.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' HD1' ' HB2' ' A' ' 82' ' ' ALA . 2.2 t80 -125.67 93.49 44.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.79 144.18 53.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mm -139.12 128.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.39 140.9 32.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -84.23 -11.12 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.45 -54.48 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -80.71 -23.78 39.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt 68.59 30.56 5.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -139.66 153.65 70.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.13 61.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -84.02 -6.49 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.63 39.26 4.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 11.2 p90 -160.7 145.55 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -152.3 173.59 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.06 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -127.33 108.79 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 58' ' ' PHE . 30.7 t -102.8 118.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -117.06 108.37 15.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLY . 88.7 m-85 -77.25 161.16 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.452 ' CE ' ' HA ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.83 -44.61 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -117.3 142.16 29.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.78 -22.81 31.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 16.4 pt-20 -65.2 -46.52 80.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.46 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 36.6 m170 -68.3 -44.85 74.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.47 -34.8 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' PRO . 97.0 t -65.93 -49.44 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -50.52 -45.32 56.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.54 -53.55 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.488 ' O ' ' CD1' ' A' ' 96' ' ' TYR . 2.9 t80 -54.7 -22.14 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.83 -39.17 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.64 -59.96 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG1' HG21 ' A' ' 111' ' ' VAL . 93.3 t -44.95 -56.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.186 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -44.85 97.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.95 22.68 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.82 155.0 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -101.46 134.66 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 109' ' ' LEU . 41.5 t80 -132.41 100.02 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 63.84 37.93 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.52 30.78 61.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -129.47 114.78 16.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 96.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 104' ' ' PHE . 53.1 mt -71.48 133.57 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -119.87 112.86 19.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.492 HG21 ' CG1' ' A' ' 99' ' ' VAL . 13.4 t -106.27 138.24 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.43 143.7 39.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' CB ' ' A' ' 39' ' ' ARG . 1.5 ttp-105 -85.14 150.28 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' O ' ' A' ' 92' ' ' ALA . 52.6 mt -141.98 146.04 35.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 35.9 t80 -95.15 122.09 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.08 142.87 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -141.97 177.91 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.1 t-20 68.58 53.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.016 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -97.29 121.04 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -66.99 127.66 33.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -48.68 -35.96 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -57.79 -31.88 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 m -73.37 143.83 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -114.85 155.92 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -42.8 -47.48 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.5 -47.49 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.66 -46.79 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 45' ' ' LEU . 39.1 mt -61.9 -46.77 87.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 mt-10 -49.17 -52.68 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -63.52 -53.82 45.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.96 -63.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.1 m-85 -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.6 t -38.99 -40.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.36 -46.44 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -65.28 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.87 179.69 46.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.18 11.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.6 mt -81.64 129.49 34.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 t -81.51 -45.07 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -158.77 136.16 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 55' ' ' GLU . 14.0 tp -117.94 141.47 48.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -126.22 102.04 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -116.88 93.54 41.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.73 136.92 34.31 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.402 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.439 HG23 ' C ' ' A' ' 77' ' ' LYS . 5.7 mm -139.72 129.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.73 152.27 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 74' ' ' LEU . 9.6 t -89.41 -19.21 25.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.811 ' H ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.58 -62.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.0 p -75.92 -20.41 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 35.56 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' HG23 ' A' ' 71' ' ' ILE . 77.1 mttt -141.05 155.24 68.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.34 44.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 25.6 mttt -67.68 -22.55 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.79 34.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 42.4 p90 -159.91 151.9 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.08 176.83 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 32.3 m-85 -135.35 121.73 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.3 t -105.64 130.65 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.24 110.13 18.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -87.87 134.38 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.1 ttm -52.36 -49.0 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.45 143.99 27.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -35.5 12.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -63.7 -34.24 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 54.1 m170 -70.87 -40.73 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -60.51 -37.06 79.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.54 -50.44 56.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -51.62 -44.43 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.6 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -57.89 -17.8 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.3 -27.44 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.27 -59.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.84 HG13 ' OE1' ' A' ' 102' ' ' GLN . 62.0 t -48.1 -56.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -44.15 96.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.63 21.16 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.84 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -109.24 133.26 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 108' ' ' MET . 86.5 t -84.99 138.49 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.9 t80 -138.25 111.93 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 59.79 34.15 21.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.8 28.67 56.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.36 111.79 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.453 ' HG2' HG22 ' A' ' 103' ' ' VAL . 9.6 mtp -63.07 111.06 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 104' ' ' PHE . 66.9 mt -79.92 125.86 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -107.71 139.78 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.3 t -128.44 147.41 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.5 mt -146.79 144.39 20.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 132.44 23.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.815 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -88.82 136.45 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' O ' ' A' ' 92' ' ' ALA . 30.5 mt -131.54 160.54 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -105.32 124.52 49.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 11.2 t -121.2 146.45 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 5.9 ptp180 -142.96 -176.91 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' MET . 4.2 m120 64.0 39.79 7.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 54' ' ' LEU . 6.4 mt -86.87 112.24 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 p -55.42 131.77 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.62 -24.61 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -71.31 -34.83 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 t -55.19 145.49 21.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m -115.88 150.15 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.6 -33.9 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -70.89 -58.72 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.09 -44.76 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 45' ' ' LEU . 31.3 mt -63.61 -53.9 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 67' ' ' LEU . 28.1 mt-10 -40.63 -38.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -78.89 -41.62 29.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.47 -57.16 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 89.0 m-85 -74.57 -49.44 21.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 6.1 t -36.48 -37.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.78 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -61.12 -34.31 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.32 177.34 47.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.01 3.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 58' ' ' PHE . 62.5 mt -70.6 140.86 51.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -94.76 -41.91 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -163.6 130.23 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.6 tp -107.7 148.21 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . 0.572 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t-80 -132.92 100.91 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.598 ' CE2' HD11 ' A' ' 71' ' ' ILE . 5.9 t80 -110.57 97.62 33.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.78 138.14 37.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 69' ' ' TYR . 10.4 mm -144.4 125.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 3.8 m-20 -58.53 133.61 55.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -79.98 -4.24 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.36 -56.25 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -89.38 -11.66 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 61.03 29.2 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -135.79 146.98 59.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.526 ' HB3' HD13 ' A' ' 71' ' ' ILE . 54.2 Cg_endo -69.75 156.46 63.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 72' ' ' ASP . 6.3 mptt -86.61 -7.61 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.14 3.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -160.29 152.49 20.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.86 178.41 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -131.0 122.8 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.6 t -109.86 124.5 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -111.44 102.67 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -77.67 157.78 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 mtp -74.64 -45.19 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -110.91 143.87 29.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.75 -27.07 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 8.6 pt-20 -61.15 -50.85 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 16.9 m170 -64.59 -41.53 96.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . 0.626 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -51.57 -33.22 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.1 t -78.14 -50.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -50.67 -43.57 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.14 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 5.3 t80 -61.84 -20.95 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.71 -36.77 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -91.35 -58.87 2.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.513 ' CG1' HG21 ' A' ' 111' ' ' VAL . 77.6 t -45.8 -61.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -43.15 94.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.01 25.18 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.473 ' N ' ' HE1' ' A' ' 108' ' ' MET . 0.8 OUTLIER -118.54 145.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.19 142.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.533 ' HB2' HD11 ' A' ' 109' ' ' LEU . 11.8 t80 -137.37 115.98 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 51.61 30.46 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.74 30.54 35.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -133.51 115.1 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -64.96 100.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 104' ' ' PHE . 81.6 mt -75.4 129.04 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' HIS . . . . . 0.445 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -115.7 115.22 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.513 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.1 t -104.45 144.85 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.54 151.92 48.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 133.2 25.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -125.49 152.05 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 t -50.99 -54.19 26.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.57 17.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -125.99 142.88 51.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.364 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -69.87 161.01 30.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.98 -67.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.5 p -148.79 136.94 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.7 28.89 6.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.09 141.69 43.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.63 136.29 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 13.6 t80 -89.33 113.98 25.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.56 146.35 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -147.34 174.36 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 70.67 54.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.9 mm? -100.29 126.06 46.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -65.25 132.67 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.23 -10.58 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 p -85.22 -9.86 57.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 t -82.34 150.41 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' GLU . 43.6 m -119.07 142.03 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' SER . 27.2 tt0 -34.78 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.6 tt0 -71.85 -52.65 16.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -44.4 -45.75 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD21 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -63.77 -48.61 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.5 mt-10 -45.05 -45.69 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -71.54 -42.33 68.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.1 tp -52.07 -51.32 58.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.878 ' CE2' HG21 ' A' ' 84' ' ' VAL . 51.4 m-85 -79.93 -51.41 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 14.4 t -34.97 -48.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.95 -54.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -56.99 -38.28 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' SER . . . 174.76 -173.69 46.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.9 26.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 58' ' ' PHE . 54.7 mt -94.93 123.67 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 87' ' ' MET . 0.7 OUTLIER -69.57 -41.55 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -165.52 142.84 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -117.87 141.36 48.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -128.21 104.75 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 54' ' ' LEU . 1.8 t80 -120.52 93.58 48.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.76 139.57 40.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 77' ' ' LYS . 7.1 mm -139.61 127.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.19 133.38 39.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -76.63 -2.0 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -105.69 -61.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.1 p -80.72 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 29.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 71' ' ' ILE . 15.0 pttt -132.3 152.07 79.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.914 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.446 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.3 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' LYS . 3.9 mptt -95.45 3.01 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.51 29.16 17.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.03 151.53 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -157.43 166.06 34.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 40.6 m-85 -123.34 119.13 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 ' CE2' ' A' ' 58' ' ' PHE . 95.1 t -105.3 128.85 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -113.43 108.75 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -86.0 143.23 28.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.438 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -64.28 -46.95 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -112.15 146.05 34.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.7 12.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -49.78 -48.14 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -69.13 -47.57 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.51 -36.92 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.04 -48.81 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -54.6 -39.31 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.85 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 6.1 t80 -64.7 -18.27 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.69 -32.77 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -94.14 -56.6 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' GLY . 88.3 t -52.68 -52.0 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.27 85.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.21 27.25 1.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.51 ' CD ' HD12 ' A' ' 109' ' ' LEU . 1.6 pt20 -113.19 167.73 10.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.71 134.68 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -143.82 116.65 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 61.69 31.84 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.29 32.88 59.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -142.84 112.62 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.4 mtp -63.03 114.56 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' CD ' ' A' ' 102' ' ' GLN . 66.7 mt -79.23 129.85 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.8 125.19 53.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.415 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.1 t -119.58 132.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -132.32 148.31 69.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 125.87 12.68 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m -136.2 131.01 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 20.9 p -115.36 142.56 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.99 100.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -81.95 50.67 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -153.05 155.3 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -85.93 47.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.84 -34.76 20.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -89.89 101.44 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 123' ' ' SER . 20.0 pt20 -55.64 -49.15 73.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 6.0 m -160.08 164.13 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -125.22 83.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.25 17.09 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.3 m -139.9 118.54 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 t -105.82 157.76 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.06 113.98 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -43.66 140.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.85 -173.32 18.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -144.2 153.45 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t -107.07 -50.79 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.42 44.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.4 p -92.01 127.66 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 41.99 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -81.3 145.51 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -146.8 160.1 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -108.54 131.81 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.4 t -132.66 132.94 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -133.42 176.96 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.4 t-20 70.07 51.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -93.78 130.43 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 p -74.18 121.78 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.46 -23.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.3 p -65.9 -40.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.0 m -69.74 146.09 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -113.94 158.51 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -43.64 -44.63 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.39 -47.94 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.74 -49.92 64.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.834 HD21 HD11 ' A' ' 45' ' ' LEU . 50.2 mt -55.35 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.4 mt-10 -44.54 -51.31 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -67.73 -46.73 71.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 tp -46.59 -62.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.666 ' CE2' HG21 ' A' ' 84' ' ' VAL . 64.5 m-85 -68.94 -48.52 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.9 t -38.21 -44.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.73 -51.67 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -60.37 -45.73 92.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.99 -173.48 39.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.24 44.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.7 121.67 42.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.683 ' HB3' HG22 ' A' ' 85' ' ' THR . 31.0 t -72.64 -44.14 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -161.28 145.02 13.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.425 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.3 tp -124.52 148.23 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -136.77 105.37 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' HD11 ' A' ' 71' ' ' ILE . 3.2 t80 -115.82 93.62 38.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.696 0.76 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.82 137.74 35.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 78' ' ' PRO . 8.9 mm -143.8 127.24 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.62 143.94 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t -86.18 -11.1 53.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -99.98 -56.64 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 p -82.1 -11.3 58.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.34 31.48 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -137.25 148.53 62.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.649 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.82 163.37 38.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.339 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.18 -1.52 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 36.44 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.9 p90 -156.99 152.22 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.74 174.5 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -128.31 118.63 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 58' ' ' PHE . 48.8 t -103.9 128.75 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.683 HG22 ' HB3' ' A' ' 65' ' ' SER . 90.7 m -120.71 118.79 30.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -94.71 157.49 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -44.19 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -113.34 145.7 33.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 Cg_endo -69.74 -38.77 7.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 12.6 pt-20 -50.44 -43.65 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 17.8 m170 -72.71 -45.88 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.95 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 89' ' ' PRO . 65.4 t -65.85 -49.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -53.18 -42.9 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -64.57 -48.67 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -58.29 -20.58 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.44 -37.4 21.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.33 -58.33 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.53 HG12 HG21 ' A' ' 111' ' ' VAL . 85.6 t -47.81 -57.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.39 15.24 21.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.402 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.4 OUTLIER -95.53 149.85 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.2 127.65 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.493 ' HB2' HD11 ' A' ' 109' ' ' LEU . 9.3 t80 -130.65 100.29 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 69.49 25.94 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.77 32.96 31.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.97 116.95 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.439 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -66.83 99.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 44' ' ' ASN . 47.1 mt -77.56 118.15 19.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.39 109.74 21.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.53 HG21 HG12 ' A' ' 99' ' ' VAL . 18.7 t -98.98 115.45 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.78 144.07 27.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.48 32.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.5 t -142.66 143.57 32.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.588 HG22 ' H ' ' A' ' 116' ' ' ILE . 5.3 m -146.86 169.84 18.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.5 mp -35.11 108.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -100.76 59.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -147.25 156.24 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.04 87.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.01 150.26 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.4 p -162.69 154.84 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -82.55 117.07 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.0 m -72.96 -40.27 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.01 144.15 0.81 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 88.51 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.1 m -45.22 -59.32 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -85.96 141.94 29.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' SER . 17.6 m -83.56 111.3 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 75.2 m 36.07 43.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.53 179.74 50.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.2 m -121.98 -48.08 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.915 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 m 53.6 47.43 23.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.16 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 p -81.6 130.55 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.18 41.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -81.53 136.68 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 92' ' ' ALA . 83.1 mt -140.93 144.21 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -101.91 131.78 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.7 t -133.0 143.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -144.67 171.79 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 109' ' ' LEU . 3.5 t-20 74.81 49.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.988 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -92.56 150.84 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -83.44 115.5 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.4 -44.17 3.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.8 p -56.15 -36.36 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -59.36 148.66 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.1 m -115.55 156.7 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.79 -43.63 3.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -56.97 -52.52 64.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD2' ' CE2' ' A' ' 104' ' ' PHE . 10.3 t0 -46.14 -46.8 17.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.988 HD21 HD11 ' A' ' 45' ' ' LEU . 28.8 mt -61.29 -51.11 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.509 ' HG3' HD22 ' A' ' 67' ' ' LEU . 33.8 mt-10 -49.13 -55.98 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -57.7 -48.87 78.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.585 HD11 HE22 ' A' ' 102' ' ' GLN . 21.2 tp -48.44 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HE1' HG11 ' A' ' 99' ' ' VAL . 62.8 m-85 -66.5 -58.71 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 42.9 t -34.79 -44.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.82 -49.52 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -62.19 -46.24 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.33 176.8 42.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.23 15.79 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.248 . . . . 0.0 112.393 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.1 163.43 15.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -111.92 -49.15 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.3 tp10 -151.21 144.81 24.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -123.12 148.8 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 41.8 t-80 -132.57 101.96 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.7 t80 -116.25 94.23 41.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.67 147.66 63.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mm -143.66 142.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.4 146.89 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -85.37 -8.83 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.56 -54.87 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -83.53 -8.4 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.67 30.67 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -136.8 155.39 76.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.514 0.674 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.38 66.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -20.26 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.63 43.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.7 p90 -163.0 148.4 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -161.44 164.94 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.93 115.16 20.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 67' ' ' LEU . 93.8 t -105.33 135.34 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -124.18 104.42 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.55 154.73 41.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.1 mmt -64.93 -48.82 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 91' ' ' HIS . 81.8 m-85 -110.38 147.53 36.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.692 0.758 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.44 7.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.72 -25.06 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 39.2 m170 -82.3 -44.9 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -51.73 -38.18 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.12 -58.72 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -45.34 -43.22 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.06 -48.97 40.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 1.4 t80 -54.5 -22.68 13.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.21 -41.9 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.57 -58.33 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.531 HG11 ' HE1' ' A' ' 58' ' ' PHE . 57.6 t -44.07 -55.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.73 100.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.08 29.88 7.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.585 HE22 HD11 ' A' ' 57' ' ' LEU . 0.5 OUTLIER -104.72 146.16 29.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.931 -179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.09 130.62 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 8.1 t80 -133.72 106.15 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 61.78 27.6 16.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.54 30.54 26.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.9 mmp_? -132.4 113.02 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 tpt -68.83 95.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 44' ' ' ASN . 34.8 mt -70.62 138.24 50.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -117.35 130.26 56.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.501 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.0 t -121.0 133.55 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.7 mt -135.8 143.62 45.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.62 14.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t -118.65 147.98 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.3 p -136.27 164.14 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.66 121.34 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -88.37 149.58 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.98 112.23 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.66 112.21 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.21 157.29 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.8 t -117.71 88.56 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -111.06 137.64 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 97.1 p -151.94 142.76 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.24 145.7 28.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.19 2.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.8 t -136.04 152.95 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -93.32 122.4 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -111.75 125.72 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.9 p -85.53 147.59 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.85 -137.6 13.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -85.77 115.39 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 m -124.43 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.38 69.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 m -106.37 104.95 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.385 . . . . 0.0 110.843 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.58 33.02 6.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -92.69 135.83 33.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.84 136.51 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 15.1 t80 -95.09 129.56 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.62 132.98 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -132.38 175.47 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 71.98 47.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 54' ' ' LEU . 3.3 mm? -85.26 141.87 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' A' ' 107' ' ' ARG . 1.1 t -81.33 130.43 35.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -62.02 -19.25 62.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.979 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.7 p -81.92 -11.76 58.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.3 m -83.18 154.97 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.6 m -119.27 154.26 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -50.83 -38.01 46.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.94 -44.3 94.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 45' ' ' LEU . 15.5 mt -58.65 -52.47 65.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' SER . 48.4 mt-10 -45.66 -56.51 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 8.7 mptt -60.16 -51.95 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 tp -40.36 -68.06 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.5 m-85 -65.24 -48.82 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 28.3 t -38.45 -46.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.02 -44.72 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.72 177.45 42.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.47 3.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.78 140.61 51.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.2 t -94.82 -32.45 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.06 143.87 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.656 HD12 HG22 ' A' ' 84' ' ' VAL . 13.7 tp -123.62 146.68 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.83 101.26 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.67 93.61 33.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.677 0.751 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.73 142.21 47.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 78' ' ' PRO . 15.1 mm -143.37 131.26 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.72 147.84 31.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.8 m -91.14 -6.43 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -106.13 -48.61 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -91.34 -9.31 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER 53.07 25.08 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -129.27 147.03 63.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.486 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -4.18 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.22 4.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.6 p90 -159.63 152.66 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.85 172.62 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 22.4 m-85 -135.95 117.3 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 HD12 ' A' ' 67' ' ' LEU . 60.7 t -107.07 140.12 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 m -124.71 106.05 9.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -73.8 150.46 41.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.2 mtp -68.11 -42.08 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -111.99 144.05 29.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.57 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.616 ' CD ' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -55.45 -25.14 34.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CD2' ' CD ' ' A' ' 90' ' ' GLU . 54.9 m170 -85.36 -29.42 24.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.43 -34.91 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -54.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.07 -39.0 63.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.44 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.0 t80 -69.57 -20.24 63.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.14 -25.01 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 86.0 t -51.27 -55.94 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 10.9 p-10 -44.25 96.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.9 31.41 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.79 136.23 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.75 124.23 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.635 ' CB ' HD11 ' A' ' 109' ' ' LEU . 69.9 t80 -124.65 103.96 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 64.17 30.45 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.52 57.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 46' ' ' SER . 6.2 mmt180 -128.38 115.71 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.9 98.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.635 HD11 ' CB ' ' A' ' 104' ' ' PHE . 84.9 mt -73.68 123.39 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -109.39 125.29 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.81 136.19 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 113' ' ' PRO . 14.2 tp -134.59 138.59 30.31 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.7 Cg_endo -69.75 126.19 13.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.312 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t -126.15 115.4 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 25.9 p -130.1 170.06 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.9 121.5 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -90.43 90.93 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -149.87 142.0 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 43.54 44.33 5.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -96.18 -45.27 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -79.92 169.01 18.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -163.05 144.3 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 125' ' ' PRO . 54.5 p -165.04 159.54 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 123' ' ' SER . . . 33.97 -96.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 123' ' ' SER . 53.9 Cg_endo -69.8 173.12 11.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.9 t -164.59 162.27 21.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.9 t -130.54 -45.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.439 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -52.89 116.74 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -84.28 166.6 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.58 81.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 m -110.88 94.79 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -117.88 160.89 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.61 -53.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.1 p -109.66 127.04 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.965 0.412 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.63 43.48 1.68 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -78.99 135.15 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 92' ' ' ALA . 28.3 mt -133.66 145.32 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -94.41 131.55 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -133.33 147.17 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -148.95 179.66 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 65.3 52.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm? -99.86 118.02 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -51.27 126.04 15.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.07 -29.19 57.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.8 p -64.71 -17.68 64.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -85.11 152.99 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.55 163.04 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.93 -33.2 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.88 -60.0 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.87 -49.19 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 69' ' ' TYR . 59.5 mt -54.66 -63.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' SER . 84.4 mt-10 -36.57 -54.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.46 -56.89 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.1 tp -38.24 -66.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.9 m-85 -66.05 -58.08 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 29.7 t -35.54 -35.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -49.09 -49.41 41.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -61.36 -39.46 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.44 179.51 45.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.5 14.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -86.31 165.67 16.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -117.89 -42.52 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.9 tt0 -157.48 145.94 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' HG3' ' A' ' 55' ' ' GLU . 20.4 tp -127.93 147.14 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.584 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 31.0 t-80 -132.42 104.5 6.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -117.25 93.5 42.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.75 140.66 43.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 70' ' ' PRO . 25.3 mm -138.7 127.13 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -59.5 128.58 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.0 m -76.52 2.68 13.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.9 mt -104.9 -56.19 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -90.27 -13.55 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt 64.78 29.61 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -138.67 147.92 56.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.503 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.5 Cg_endo -69.72 136.58 33.46 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -65.87 -30.1 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.2 46.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 8.1 p90 -163.03 147.18 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.45 157.52 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -111.15 118.54 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.33 129.46 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -117.35 109.05 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.73 149.75 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.595 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -64.42 -48.82 73.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -111.37 149.43 40.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 17.1 pt-20 -48.29 -46.28 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 19.2 m170 -65.54 -44.67 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -52.55 -17.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.3 t -81.93 -46.35 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -59.33 -50.98 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -54.91 -41.24 70.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.09 -27.9 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.36 -54.52 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 87.1 t -51.74 -55.06 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -55.07 82.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 127.03 22.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.424 ' CD ' HD12 ' A' ' 109' ' ' LEU . 0.4 OUTLIER -115.73 159.15 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.874 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.6 t -109.13 134.84 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB2' HD11 ' A' ' 109' ' ' LEU . 19.6 t80 -127.86 120.02 26.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 45.36 36.28 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.71 31.12 41.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -139.94 111.65 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 mtp -63.18 118.1 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 104' ' ' PHE . 72.4 mt -86.09 125.76 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -110.93 130.43 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.433 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.5 t -126.84 130.4 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -127.81 143.94 49.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.3 22.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 t -135.43 115.27 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.7 p -119.72 162.47 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.618 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.2 mp -81.51 98.16 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -88.96 67.96 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.66 168.37 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 119' ' ' GLU . 2.7 pp20? -108.22 116.68 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -162.99 142.13 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p -89.18 131.64 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -135.28 106.84 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -149.16 145.34 27.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.64 83.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -36.43 10.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 p -55.12 112.76 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 t -114.09 83.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -118.26 170.77 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.6 p -129.22 137.51 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.4 -45.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -120.39 93.08 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -132.08 144.88 51.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.45 66.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.6 p -96.36 -177.67 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.3 -25.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -76.62 129.17 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.12 139.67 53.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -90.43 116.11 28.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.22 131.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -132.77 175.41 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 109' ' ' LEU . 1.9 t30 74.8 55.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.852 HD11 HD21 ' A' ' 54' ' ' LEU . 4.6 mm? -99.23 122.55 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.46 126.9 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -51.79 -27.05 11.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 m -67.35 152.57 45.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 166.21 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.81 -48.35 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.08 -51.08 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -46.61 -55.69 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 45' ' ' LEU . 38.7 mt -52.27 -53.45 43.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' SER . 49.1 mt-10 -41.78 -53.86 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -62.55 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.7 tp -36.37 -68.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.666 ' HE2' HD22 ' A' ' 54' ' ' LEU . 86.1 m-85 -61.62 -49.81 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.9 t -39.06 -41.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.33 -46.19 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.52 -39.0 91.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.14 44.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 87' ' ' MET . 54.4 Cg_endo -69.68 151.67 69.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.731 2.287 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.35 124.21 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 t -74.03 -37.46 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -170.14 144.23 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.68 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -120.68 142.65 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 35.1 t-80 -131.55 111.1 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -122.79 93.91 47.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.77 48.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HD3' ' A' ' 78' ' ' PRO . 11.9 mm -143.96 129.04 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 4.7 m-20 -54.84 145.33 20.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.1 p -88.6 -13.38 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.68 -51.99 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 p -82.08 -25.09 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm 69.43 35.52 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -145.55 154.67 52.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.75 152.75 69.42 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.389 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 8.9 mptt -79.39 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.22 31.32 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 2.6 p90 -157.59 157.08 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.89 176.25 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -132.36 112.99 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 67' ' ' LEU . 88.9 t -108.15 126.52 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.33 136.0 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.585 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 30.2 m-85 -110.45 146.11 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 63' ' ' PRO . 10.9 mtm -66.66 -45.61 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -106.56 141.52 22.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.511 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.74 -44.36 2.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.0 pt-20 -46.28 -49.28 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 18.0 m170 -68.93 -44.57 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -55.21 -27.62 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 89' ' ' PRO . 98.2 t -77.76 -54.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -47.78 -42.98 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.2 -42.91 79.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 3.3 t80 -65.68 -23.08 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -31.72 31.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.48 -58.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 111' ' ' VAL . 94.0 t -44.47 -48.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.72 96.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.39 30.24 4.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -115.31 155.87 26.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -102.67 134.71 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.8 t80 -132.67 100.27 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 62.34 45.16 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.09 25.4 75.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -135.5 111.66 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 9.0 mtp -67.21 116.55 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.487 HD11 ' HB2' ' A' ' 104' ' ' PHE . 55.7 mt -85.92 123.81 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -106.51 117.99 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.548 ' CG2' HG12 ' A' ' 99' ' ' VAL . 13.8 t -108.47 137.65 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -135.82 138.01 26.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.563 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.5 Cg_endo -69.77 130.83 20.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -98.75 147.17 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 34.0 p -123.72 142.8 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mm -39.69 104.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -61.23 93.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -151.75 132.82 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -100.48 118.15 36.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.51 110.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -124.62 116.57 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -174.85 155.03 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.0 p -84.19 -50.07 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.15 75.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.57 51.23 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -157.76 141.47 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -153.33 115.33 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -142.0 145.7 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -45.73 -46.59 15.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.11 148.22 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -97.57 141.85 30.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -65.01 83.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.99 39.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -119.17 115.85 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.58 39.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.72 132.63 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -139.25 132.04 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -91.34 126.93 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -130.29 144.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 22.6 ptt180 -140.92 175.47 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.43 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.0 t-20 72.45 50.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.883 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -92.28 134.68 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 p -72.72 129.11 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.86 -31.57 50.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -68.12 -22.14 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -72.12 150.79 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -123.63 159.61 28.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG2' HD23 ' A' ' 67' ' ' LEU . 19.9 tt0 -47.11 -32.63 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.91 -60.69 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -42.42 -48.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 45' ' ' LEU . 49.1 mt -62.11 -56.98 13.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 67' ' ' LEU . 18.2 mt-10 -38.61 -55.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 3.6 mptp? -59.66 -57.66 11.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LYS . 30.8 tp -36.07 -64.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' HE2' HD22 ' A' ' 54' ' ' LEU . 94.5 m-85 -66.43 -52.69 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' PHE . 3.3 t -36.98 -46.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -50.46 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -60.43 -40.46 91.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.69 -179.9 45.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 129.97 18.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.94 133.37 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.4 t -86.04 -35.58 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -170.56 139.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.581 HD22 ' HG3' ' A' ' 55' ' ' GLU . 16.3 tp -117.65 144.72 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -129.12 101.1 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.5 t80 -114.43 93.57 32.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.916 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.11 39.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.493 HD12 ' HD3' ' A' ' 78' ' ' PRO . 13.6 mm -136.83 140.82 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.58 143.31 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 t -84.12 -7.9 59.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.72 -59.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -76.08 -17.16 59.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 61.46 32.37 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -142.66 151.24 56.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.4 Cg_endo -69.77 140.53 42.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.392 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -67.23 -16.49 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.8 43.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -161.78 149.21 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.36 171.33 19.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -129.44 118.91 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.1 t -104.93 119.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -110.65 117.01 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -89.39 161.42 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.0 mtt -76.98 -43.1 36.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -114.99 149.26 42.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.83 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.4 pt-20 -44.18 -51.51 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.556 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 14.3 m170 -67.5 -42.86 82.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.23 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.78 -46.46 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -54.58 -47.23 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.09 69.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE1' ' HD3' ' A' ' 113' ' ' PRO . 5.5 t80 -56.34 -20.44 19.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.02 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -93.68 -59.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.486 HG13 ' OE1' ' A' ' 102' ' ' GLN . 46.6 t -47.35 -56.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -48.68 92.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 113.32 21.07 5.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.486 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.6 pt20 -111.62 146.15 37.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.86 126.48 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.409 ' CB ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -123.47 96.42 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 72.16 28.46 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.59 23.16 56.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -122.87 116.52 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.448 ' HE2' ' HA ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -68.17 94.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 44' ' ' ASN . 78.4 mt -70.41 135.73 48.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.442 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 0.6 OUTLIER -120.01 112.22 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.17 128.38 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.53 HD12 ' HD2' ' A' ' 113' ' ' PRO . 10.9 tp -126.4 138.48 32.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' HD12 ' A' ' 112' ' ' LEU . 54.1 Cg_endo -69.77 138.62 38.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.2 t -139.71 129.37 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.1 p -129.72 175.56 8.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.4 HD12 ' H ' ' A' ' 116' ' ' ILE . 5.4 mp -85.66 104.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.12 94.6 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -87.43 144.3 26.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -106.66 100.77 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.51 136.31 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.3 p -84.65 88.2 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -172.86 120.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -64.37 -42.58 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.38 64.6 1.63 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 101.92 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.298 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 139.15 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.6 m -140.98 134.83 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m 60.1 41.66 16.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.39 . . . . 0.0 110.891 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.8 t -173.03 122.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -101.62 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m 51.78 45.99 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.391 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -135.27 161.05 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.14 -45.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.769 ' OG ' HD11 ' A' ' 116' ' ' ILE . 61.6 p -109.72 126.54 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.62 45.25 3.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -79.15 145.27 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' A' ' 92' ' ' ALA . 41.9 mt -138.39 151.05 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 18.1 t80 -105.46 109.71 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 t -111.86 131.97 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -133.61 173.45 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 72.68 52.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -96.87 138.75 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 p -79.79 124.7 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -47.11 -40.72 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -53.37 -31.93 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 m -68.57 144.47 54.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.6 m -112.12 147.34 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 37.0 tt0 -34.57 -36.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' SER . 40.0 tt0 -65.13 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLU . 11.2 t0 -35.06 -38.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 45' ' ' LEU . 20.8 mt -64.82 -55.4 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.701 ' HG3' HD22 ' A' ' 67' ' ' LEU . 23.6 mt-10 -54.04 -46.46 71.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.66 -27.98 69.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -75.03 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.818 ' CE2' HG21 ' A' ' 84' ' ' VAL . 49.8 m-85 -65.89 -52.09 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 38.9 t -41.04 -29.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.27 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.24 -21.19 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.54 -173.81 38.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.88 58.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -104.19 163.87 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -115.41 -45.7 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.52 147.42 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.701 HD22 ' HG3' ' A' ' 55' ' ' GLU . 12.3 tp -125.38 142.41 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.545 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 8.9 t-80 -130.72 100.98 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -113.31 93.98 29.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.718 0.771 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.76 137.48 35.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.1 mm -140.58 132.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.7 147.52 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -84.63 -16.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.69 -59.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.0 p -75.18 -17.2 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 59.15 28.05 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -133.69 155.64 80.26 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 162.54 41.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -89.82 -13.34 36.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 33.38 2.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 4.2 p90 -162.94 158.49 22.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.84 175.59 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 56.7 m-85 -128.74 120.33 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.818 HG21 ' CE2' ' A' ' 58' ' ' PHE . 39.1 t -111.67 129.09 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 m -116.55 104.03 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 49.0 m-85 -71.71 160.77 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.583 ' HE2' ' HA ' ' A' ' 87' ' ' MET . 2.1 mmt -69.33 -48.39 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -110.24 147.98 37.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.69 -33.58 16.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 91' ' ' HIS . 18.1 pt-20 -61.14 -47.04 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 90' ' ' GLU . 27.0 m170 -63.09 -48.31 79.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -50.36 -35.1 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 89' ' ' PRO . 96.3 t -67.56 -48.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.7 76.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -60.65 -19.96 59.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.23 -35.08 20.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.01 -58.84 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 59.8 t -47.59 -52.26 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.63 88.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.09 23.42 2.45 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.76 153.51 28.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -96.8 141.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.467 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.4 t80 -133.76 108.51 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 52.77 28.62 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.21 32.26 12.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -136.5 123.12 20.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.23 97.85 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 104' ' ' PHE . 99.0 mt -67.54 124.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 9.3 m170 -109.06 111.2 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.91 138.25 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.05 135.1 14.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 54.1 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 t -127.92 130.87 49.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -179.12 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.769 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.0 mp -89.59 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.03 91.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -103.29 162.65 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -129.98 120.19 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.97 113.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 80.5 p -90.64 100.67 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -61.93 87.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -148.79 113.4 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.7 70.81 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.09 32.24 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.226 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.3 p -40.87 -54.51 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.3 t -43.48 143.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -87.46 134.88 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -119.22 113.18 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 113.31 3.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -122.72 142.84 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.7 p -68.65 -45.92 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.67 49.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.6 p -131.37 130.0 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.7 40.33 2.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.39 138.63 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.22 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.05 139.0 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -139.76 -178.64 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 67.72 50.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -93.37 132.57 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -70.54 115.97 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -44.37 -25.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.0 p -67.71 -40.26 84.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 153.04 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -118.08 158.16 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -42.65 -40.71 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.12 -56.91 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.9 -46.68 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 32.9 mt -59.76 -51.83 68.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' SER . 17.4 mt-10 -44.27 -57.61 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 7.1 mptt -59.31 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -39.67 -66.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' SER . 59.9 m-85 -66.14 -53.39 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 18.0 t -35.52 -39.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.21 8.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.53 45.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.11 29.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 mt -96.0 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 t -92.79 -46.99 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -154.14 145.84 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.2 tp -124.5 148.0 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.524 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 6.1 t-80 -135.11 104.64 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -119.14 100.25 50.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.7 Cg_endo -69.73 138.15 37.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.474 HD13 ' O ' ' A' ' 70' ' ' PRO . 22.7 mm -140.95 123.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.06 131.84 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -75.97 -1.96 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 35.6 mt -103.91 -55.89 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 p -90.68 -1.58 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER 51.37 27.11 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -131.88 149.85 74.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.84 151.68 68.69 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -77.1 -12.32 59.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.52 34.23 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 3.2 p90 -155.75 151.03 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.355 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.76 173.98 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -133.16 117.19 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.0 t -105.29 136.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.0 m -124.96 103.23 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 27.5 m-85 -72.73 152.58 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.8 mtp -69.22 -44.31 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.48 144.81 33.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.5 Cg_endo -69.79 -33.56 16.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 15.6 pt-20 -60.57 -32.29 71.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.557 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 28.7 m170 -81.21 -48.2 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -49.86 -38.78 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 89' ' ' PRO . 95.3 t -65.3 -50.77 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -53.97 -40.25 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.42 -52.99 18.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.1 t80 -53.07 -20.84 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.96 -40.67 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.02 -59.34 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' GLN . 57.4 t -45.03 -63.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' VAL . 2.5 t70 -36.7 95.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.86 20.47 8.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . 0.2 OUTLIER -103.83 130.22 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.7 t -79.66 141.95 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 109' ' ' LEU . 20.4 t80 -139.76 105.15 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.45 27.56 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 32.23 14.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -136.49 122.44 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.2 98.09 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 104' ' ' PHE . 71.0 mt -73.81 117.9 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.0 138.19 39.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.7 t -130.42 123.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 112' ' ' LEU . 3.6 mm? -116.72 144.13 32.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.7 t -144.93 126.96 15.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.6 p -133.79 167.41 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.23 106.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -71.35 84.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.6 126.61 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 61.45 51.5 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -113.42 -43.24 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -108.78 44.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -72.57 145.27 47.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 m -88.43 -42.44 12.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -107.48 83.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -41.05 4.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -107.75 155.11 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.1 m -50.44 -52.97 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.1 t -118.61 85.13 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 m -95.7 135.59 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.71 58.85 12.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 t -87.7 94.93 9.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 m 55.03 46.33 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -100.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 t -164.09 155.47 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.64 38.35 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 1.3 tmm_? -75.02 137.82 41.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 92' ' ' ALA . 18.4 mt -141.45 153.51 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 14.0 t80 -97.77 125.82 42.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.86 141.77 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -141.74 173.62 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' A' ' 108' ' ' MET . 2.6 t-20 73.95 47.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -89.52 131.16 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 p -75.29 128.69 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.82 -17.4 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 p -77.98 -29.15 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 t -59.34 156.73 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.8 m -122.17 139.81 53.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt0 -41.51 -26.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 6.0 tm-20 -86.72 -41.2 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.0 t0 -55.52 -35.36 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 45' ' ' LEU . 31.4 mt -67.28 -57.18 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' OE1' HD12 ' A' ' 64' ' ' LEU . 5.7 mm-40 -40.29 -47.07 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -65.19 -45.91 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.0 tp -51.57 -60.45 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.678 ' HE1' HD22 ' A' ' 54' ' ' LEU . 96.0 m-85 -68.66 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.0 t -46.16 -43.85 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.88 -33.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.94 -41.09 30.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 -178.86 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.8 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' OE1' ' A' ' 55' ' ' GLU . 54.3 mt -86.26 134.49 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 t -86.2 -43.68 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 tp10 -156.96 149.43 23.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 13.7 tp -120.48 147.15 45.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.439 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 11.6 t-80 -133.61 100.83 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' A' ' 71' ' ' ILE . 4.4 t80 -118.42 98.93 51.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.74 136.73 33.79 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 78' ' ' PRO . 9.7 mm -142.4 126.58 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -52.36 145.82 10.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -85.0 -11.81 54.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.14 -57.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 p -75.75 -20.94 57.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 62.93 32.23 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' C ' HG23 ' A' ' 71' ' ' ILE . 28.2 mtmm -137.24 153.99 75.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.461 ' CA ' HD13 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.76 152.79 69.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -82.26 -7.43 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.11 34.76 4.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 15.3 p90 -160.03 156.74 27.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.94 169.56 20.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 35.4 m-85 -128.24 119.5 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.55 134.86 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -122.95 111.88 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -85.71 162.17 18.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.36 -47.33 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.99 147.5 34.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.3 -23.77 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 65.3 m170 -77.9 -37.73 47.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -67.16 -29.14 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.4 t -68.26 -55.83 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -53.5 -39.53 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -69.94 -49.33 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -61.43 -22.88 65.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.79 -59.12 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.445 ' N ' ' O ' ' A' ' 95' ' ' ALA . 65.9 t -45.38 -52.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -48.73 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 111.43 32.34 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.99 128.86 55.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.94 136.07 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' A' ' 109' ' ' LEU . 54.8 t80 -136.37 114.79 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 57.12 26.23 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.39 32.88 18.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -139.42 115.86 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.438 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 5.9 tpt -63.23 96.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 104' ' ' PHE . 60.1 mt -67.58 122.34 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -109.13 131.05 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.65 ' C ' HD22 ' A' ' 112' ' ' LEU . 11.3 t -120.89 133.42 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.0 mm? -128.63 143.99 50.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.12 15.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.242 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.2 t -123.83 162.56 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -133.72 -178.18 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.9 132.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -96.64 112.42 24.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -111.54 129.56 56.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -154.71 165.89 35.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.98 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 m -121.8 132.67 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -115.7 125.43 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.2 p -155.5 154.18 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.39 69.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 119.18 6.17 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.5 m -84.27 157.41 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.6 t -125.25 -55.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.8 p -124.48 135.66 53.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 m -98.07 41.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.88 -177.84 34.99 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 m -147.25 158.0 43.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.812 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.29 152.0 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.02 52.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.6 t -107.07 -60.8 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.49 38.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -119.0 142.27 47.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -102.62 130.86 49.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.3 144.82 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 179.09 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.1 t-20 67.44 50.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.021 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -90.64 136.01 33.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -73.63 123.83 24.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.55 -20.17 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -72.6 -34.44 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.1 m -72.38 154.87 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -120.58 154.44 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CG ' HD23 ' A' ' 67' ' ' LEU . 32.0 tt0 -37.82 -33.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 21.0 tt0 -63.35 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLU . 1.1 m-20 -35.83 -52.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.021 HD21 HD11 ' A' ' 45' ' ' LEU . 73.5 mt -53.11 -60.71 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HG3' HD22 ' A' ' 67' ' ' LEU . 67.1 mt-10 -38.47 -53.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -64.5 -59.41 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' LYS . 12.3 tp -36.42 -57.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -69.98 -46.34 65.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -43.0 -37.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.77 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.74 -35.64 72.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.5 -176.68 47.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.35 21.0 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 55' ' ' GLU . 67.6 mt -91.26 152.46 20.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -103.45 -44.5 5.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -160.13 148.38 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.5 tp -129.06 142.8 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -127.24 105.06 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -112.61 93.61 24.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.573 ' CG ' ' CE1' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.8 141.9 46.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 72' ' ' ASP . 3.8 mm -140.39 154.29 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 2.5 t70 -82.66 131.65 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 t -76.41 2.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -105.28 -59.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p -90.11 -11.66 40.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 62.89 26.76 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -127.08 148.54 66.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.71 31.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -66.63 -15.8 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.3 38.7 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CE1' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.19 145.13 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.72 167.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.08 120.62 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 67' ' ' LEU . 62.5 t -106.27 119.92 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.7 m -109.25 104.43 13.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -76.99 152.31 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -61.56 -46.41 90.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.15 145.96 37.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.33 7.89 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' HIS . 17.2 pt-20 -52.72 -44.59 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 42.7 m170 -69.99 -41.61 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.92 66.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.52 -47.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -55.99 -41.49 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.17 81.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.73 -22.21 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.85 -26.36 24.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -99.85 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' O ' ' N ' ' A' ' 101' ' ' GLY . 90.4 t -53.14 -58.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -39.0 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 112.0 29.77 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -109.15 156.95 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.29 139.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.559 ' HB2' HD11 ' A' ' 109' ' ' LEU . 5.7 t80 -141.79 109.27 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 57.18 27.91 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.14 31.98 33.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.3 mmp_? -130.01 113.73 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.585 ' SD ' ' CE1' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -64.52 101.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 104' ' ' PHE . 56.9 mt -79.95 132.57 36.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.585 ' CE1' ' SD ' ' A' ' 108' ' ' MET . 0.7 OUTLIER -115.53 136.28 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.28 130.12 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 113' ' ' PRO . 8.3 tp -129.96 139.8 36.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.8 Cg_endo -69.73 130.79 20.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -133.98 116.03 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 116' ' ' ILE . 1.5 m -125.48 172.51 9.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.674 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.4 mp -50.85 108.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -82.0 137.59 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -165.11 145.76 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -136.49 133.92 37.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.33 166.3 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.2 t -111.19 140.39 45.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -129.66 110.73 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.1 p -126.67 95.16 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.95 146.09 4.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.395 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.4 p -132.48 119.38 20.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.7 t -61.01 124.1 19.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -130.5 141.24 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 p -159.0 141.33 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.26 56.67 0.47 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -47.41 -48.03 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.8 t -72.18 152.03 42.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' SER . . . 116.06 45.99 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.546 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' GLY . 8.1 t -34.5 148.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.44 34.14 2.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -75.13 135.7 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 92' ' ' ALA . 82.9 mt -145.38 132.77 20.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 26.0 t80 -91.67 129.82 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -130.97 149.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -147.82 171.37 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 71.15 54.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.586 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.7 mm? -101.42 106.51 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -42.27 120.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.4 -28.39 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -61.42 -34.67 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -66.26 154.83 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -120.71 159.67 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -39.94 -45.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.33 -49.74 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.9 -31.62 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 45' ' ' LEU . 43.0 mt -77.65 -51.17 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.5 mt-10 -51.93 -53.34 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.2 tp -71.08 -59.16 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.612 ' CE2' HG21 ' A' ' 84' ' ' VAL . 69.1 m-85 -70.79 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 12.7 t -37.26 -50.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.8 -44.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -65.18 -41.35 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -170.51 176.69 43.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.6 Cg_endo -69.76 124.21 10.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.9 mt -83.71 161.95 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -119.5 -37.16 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -159.05 146.94 17.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -132.79 144.98 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -133.24 102.47 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.1 t80 -117.01 93.62 42.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 53.4 Cg_endo -69.74 148.33 64.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.539 HD12 ' HD3' ' A' ' 78' ' ' PRO . 22.1 mm -139.94 143.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 75' ' ' THR . 8.5 t0 -68.87 132.4 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -76.08 -6.45 51.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -107.32 -55.16 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 72' ' ' ASP . 6.6 p -84.63 -5.92 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.5 27.22 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -135.07 151.29 75.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.539 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.72 145.51 57.62 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -68.36 -20.1 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 42.88 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 18.1 p90 -162.43 150.98 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -161.16 161.55 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 12.8 m-85 -117.94 119.27 34.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.612 HG21 ' CE2' ' A' ' 58' ' ' PHE . 61.4 t -102.99 133.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.8 m -121.66 100.87 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 32.8 m-85 -73.67 153.2 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.33 -39.82 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -119.85 151.82 52.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.72 -46.42 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -54.13 -32.24 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 47.5 m170 -80.72 -26.9 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.547 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -78.56 -13.29 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PRO . 85.1 t -84.42 -47.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -53.65 -46.87 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.57 -50.56 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -63.78 -18.19 63.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.64 -36.88 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.4 -56.38 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.58 HG13 ' OE1' ' A' ' 102' ' ' GLN . 66.6 t -51.07 -54.02 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -49.67 98.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.12 5.6 13.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.416 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.58 ' OE1' HG13 ' A' ' 99' ' ' VAL . 1.4 pt20 -102.4 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -117.17 135.99 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -125.95 105.15 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 68.22 32.32 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.55 26.08 55.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -134.19 114.21 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 9.3 mtp -60.94 116.61 4.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 20.9 mt -80.2 122.56 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.65 122.77 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 134.57 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.2 mt -133.45 143.24 47.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.52 10.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -124.47 115.54 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.8 p -127.34 151.35 48.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -39.27 120.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.93 90.18 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -76.17 141.52 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.79 96.47 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.88 164.16 13.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.8 p -67.96 -46.68 70.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -171.35 138.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -61.64 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.26 77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 80.89 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.234 . . . . 0.0 112.346 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 m -144.99 163.46 34.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -57.67 128.77 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.441 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -170.39 156.31 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.6 m -54.08 139.92 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.5 46.6 3.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -167.54 160.74 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -112.3 44.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.33 98.81 0.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -83.14 138.09 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.53 38.08 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -74.72 139.43 43.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.58 126.58 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -84.89 127.62 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 38.9 t -124.4 142.79 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -140.33 165.69 26.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 2.5 t-20 74.96 54.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.5 mm? -97.02 111.36 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -53.96 127.94 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -48.43 -42.97 33.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -53.84 -28.61 36.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 m -69.71 142.93 53.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -113.56 159.4 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.0 -48.03 64.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.59 -48.84 76.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.46 -42.65 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 45' ' ' LEU . 54.8 mt -59.4 -56.93 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -39.51 -55.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -58.67 -45.16 90.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.13 -54.92 37.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 84' ' ' VAL . 71.5 m-85 -73.33 -63.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' PHE . 77.4 p -34.39 -37.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -42.41 -52.11 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -59.33 -44.38 92.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.31 -177.65 41.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.48 6.42 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 58' ' ' PHE . 87.1 mt -79.98 150.26 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.78 ' HB3' HG22 ' A' ' 85' ' ' THR . 35.1 t -96.04 -45.67 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -158.56 153.27 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD1' HG22 ' A' ' 84' ' ' VAL . 11.8 tp -132.98 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -132.47 102.05 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -108.3 93.61 11.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.689 0.756 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.71 136.9 34.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 mm -136.96 140.59 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -72.67 140.54 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 m -86.29 0.45 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.13 -50.85 3.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 p -98.9 1.38 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 3.6 mptt 46.18 26.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -129.84 146.16 60.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 142.1 46.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -70.85 -14.23 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -160.07 148.44 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.06 164.39 30.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.79 118.62 33.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.647 HG21 ' CE2' ' A' ' 58' ' ' PHE . 84.8 t -108.72 123.61 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.78 HG22 ' HB3' ' A' ' 65' ' ' SER . 96.3 m -111.1 138.73 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -108.27 152.32 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -72.05 -47.42 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -109.48 143.57 28.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 pm0 -49.15 -31.58 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -81.14 -46.39 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.29 -26.53 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.19 -49.87 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -50.49 -47.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.5 -52.75 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -53.45 -21.94 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.04 -38.47 24.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.62 -59.48 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.555 ' CG1' HG21 ' A' ' 111' ' ' VAL . 58.8 t -42.68 -59.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -45.15 108.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.51 14.57 32.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.539 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.6 OUTLIER -97.44 161.04 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.873 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.09 133.51 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -135.36 107.91 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 65.42 35.23 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.71 63.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -134.74 112.83 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 6.5 mtp -65.46 116.48 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.535 HD12 ' OE1' ' A' ' 102' ' ' GLN . 41.0 mt -87.79 121.34 30.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -104.06 113.07 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.555 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.5 t -105.98 132.39 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt -132.82 143.32 48.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.31 15.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.3 t -131.91 142.27 49.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 59.0 p -146.84 179.41 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.19 120.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.58 108.54 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -118.05 121.91 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.62 89.99 3.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.4 150.23 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.061 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -83.12 42.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -87.76 91.31 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 125' ' ' PRO . 10.2 m -146.7 112.13 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -106.61 84.55 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 123' ' ' SER . 54.1 Cg_endo -69.73 145.03 56.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.9 p -161.98 161.3 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 55.7 m -106.26 100.14 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.7 p -130.31 147.92 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m -130.62 -46.12 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.32 -128.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 m -126.29 91.03 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -74.75 101.38 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.79 -41.51 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -134.55 142.31 46.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.969 0.414 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 37.71 2.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -80.23 150.37 30.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -147.99 137.91 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 13.4 t80 -87.6 121.03 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -119.67 141.99 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -144.99 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' OD1' ' N ' ' A' ' 108' ' ' MET . 1.8 t-20 71.65 54.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 mm? -104.79 111.13 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 107' ' ' ARG . 1.5 t -52.45 133.68 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.13 -25.58 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -65.21 -14.09 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -82.58 145.42 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -118.35 148.3 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.27 -42.23 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.32 -47.11 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.0 -47.58 74.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CE1' ' A' ' 69' ' ' TYR . 76.8 mt -61.45 -49.99 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -45.54 -57.78 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 11.9 mptt -57.06 -49.12 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.5 tp -46.62 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CB ' HD21 ' A' ' 64' ' ' LEU . 76.3 m-85 -59.16 -36.78 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -51.43 -39.18 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.18 -48.15 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -64.2 -30.54 71.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.76 171.62 40.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.42 6.37 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 58' ' ' PHE . 55.1 mt -77.19 125.66 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.3 p -86.52 -27.01 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -169.9 139.18 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.43 147.52 44.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -133.36 101.07 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.3 t80 -116.24 93.73 40.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 ' O ' ' A' ' 70' ' ' PRO . 19.8 mm -140.91 148.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.34 135.73 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 p -78.5 -0.34 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.89 -58.34 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -85.19 -15.04 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 61.53 29.48 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.472 ' C ' HG23 ' A' ' 71' ' ' ILE . 33.5 mttt -132.28 150.99 77.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.408 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.81 136.8 33.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.389 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -65.89 -26.74 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.63 38.13 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.527 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 9.5 p90 -162.49 146.01 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.57 167.08 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 34.6 m-85 -124.6 116.98 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.21 140.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.4 m -127.72 109.01 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.16 137.25 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.5 ttm -55.27 -48.43 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -111.82 143.88 29.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.69 -33.46 16.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.35 -48.01 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.66 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' PRO . 93.1 t -78.92 -49.82 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.47 -54.46 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.72 -51.21 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.37 -18.2 48.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.63 -31.28 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.16 -59.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.719 HG13 ' OE1' ' A' ' 102' ' ' GLN . 42.2 t -48.47 -58.98 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.34 104.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.87 22.56 8.79 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.719 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.4 pt20 -115.4 163.5 15.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -108.35 139.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.638 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.9 t80 -138.04 110.93 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 61.76 28.76 17.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.25 25.19 44.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 46' ' ' SER . 16.8 mtt-85 -134.24 123.0 23.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.448 ' N ' ' OD1' ' A' ' 44' ' ' ASN . 4.1 tpt -68.19 105.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' PHE . 31.3 mt -70.28 124.61 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -112.83 107.28 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 t -102.37 128.47 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -127.7 141.6 41.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.25 37.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 t -134.23 138.13 44.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.2 p -141.88 160.7 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.92 129.34 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.99 105.89 7.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -117.37 136.04 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -117.65 81.76 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.59 174.93 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.8 p -172.54 121.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -51.45 -60.21 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -158.01 138.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 63.81 -158.49 40.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.04 5.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -44.45 99.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.5 m -83.79 137.29 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -50.56 131.94 25.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -45.38 -53.31 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.88 -152.44 23.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.0 p -103.49 94.36 5.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -116.84 129.76 56.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.25 53.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -113.32 132.02 55.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.42 34.22 3.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -96.07 145.73 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -144.31 126.74 15.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.15 130.51 35.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 21.7 t -129.49 141.37 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 9.8 ptp180 -140.83 169.87 16.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.448 ' N ' ' O ' ' A' ' 80' ' ' GLY . 2.4 t-20 74.23 46.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.011 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -86.08 146.7 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.59 127.68 34.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -39.82 66.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -59.99 -14.03 14.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 m -83.2 146.04 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' GLU . 39.9 m -114.99 148.45 38.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -37.66 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -76.58 -47.19 23.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.8 m-20 -49.59 -44.16 46.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 45' ' ' LEU . 28.1 mt -61.41 -56.42 20.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.675 ' HG3' HD22 ' A' ' 67' ' ' LEU . 28.2 mt-10 -43.78 -52.11 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -56.79 -32.42 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD22 ' CE1' ' A' ' 104' ' ' PHE . 10.3 tp -76.3 -55.8 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.667 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 40.6 m-85 -71.88 -59.9 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 4.8 t -40.58 -41.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.45 -42.94 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -67.97 -42.32 81.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.02 177.92 42.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 118.6 5.78 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 86' ' ' PHE . 69.4 mt -80.19 129.29 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.2 t -87.75 -28.04 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -168.88 137.25 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.6 tp -121.58 144.27 48.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.887 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.7 t-80 -125.05 118.99 27.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.2 t80 -132.23 93.61 25.61 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.641 0.734 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.8 139.97 41.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' CG2' ' C ' ' A' ' 76' ' ' LYS . 6.0 mm -142.58 127.93 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.79 131.13 50.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -76.18 2.19 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.04 -55.3 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -95.08 -15.36 23.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 71' ' ' ILE . 21.1 mmtp 67.61 26.05 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -125.36 145.53 51.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.98 64.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -1.3 57.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ASN . . . 91.93 39.43 5.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -158.77 150.31 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.92 175.5 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -132.01 119.16 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.0 t -104.42 142.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m -133.57 108.82 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CE1' HD23 ' A' ' 64' ' ' LEU . 34.6 m-85 -81.94 143.97 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.1 ttm -56.85 -37.36 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.73 147.95 57.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -38.19 -44.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -71.7 -47.78 51.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 -29.72 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.27 -51.02 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.37 -42.39 73.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.36 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -65.59 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.92 -33.53 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.77 -59.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' CG2' ' A' ' 111' ' ' VAL . 85.3 t -42.78 -55.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 9.4 p-10 -50.71 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.45 24.22 7.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.435 ' N ' ' HE1' ' A' ' 108' ' ' MET . 0.7 OUTLIER -110.54 152.07 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.9 t -99.44 126.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.659 ' CE1' HD22 ' A' ' 57' ' ' LEU . 8.4 t80 -105.86 99.05 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' PHE . 3.6 pt20 48.37 26.61 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.46 29.83 5.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 8.4 mmp_? -133.15 115.46 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.435 ' HE1' ' N ' ' A' ' 102' ' ' GLN . 0.0 OUTLIER -71.7 94.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 104' ' ' PHE . 52.7 mt -74.0 123.36 24.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 0.4 OUTLIER -106.45 103.25 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.597 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.4 t -92.93 139.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -143.95 138.0 14.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.78 130.91 20.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 t -117.92 119.22 34.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 116' ' ' ILE . 3.7 m -133.76 160.78 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 116' ' ' ILE . 2.9 mp -41.14 116.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -74.32 77.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -153.54 142.65 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -125.04 101.34 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.42 129.11 51.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -130.92 47.79 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 123' ' ' SER . 20.3 pt20 -47.92 -48.38 31.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 9.5 t -156.41 129.14 7.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -114.41 77.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.95 3.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.3 m -79.6 136.26 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.1 m -146.68 125.58 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -165.25 131.37 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.7 p -58.47 -47.92 82.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 150.74 3.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -70.45 129.27 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -106.8 78.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.62 37.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -146.1 129.08 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.27 29.17 8.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.39 130.04 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 92' ' ' ALA . 56.1 mt -141.36 131.82 25.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -85.84 125.2 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 t -122.74 141.3 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.84 170.51 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 74.74 54.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.869 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -95.69 117.9 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 p -57.23 129.08 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.53 -12.91 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -89.38 0.0 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -93.63 135.81 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' GLU . 16.8 m -102.2 140.13 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' SER . 34.9 tt0 -37.13 -33.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' SER . 50.0 tt0 -66.6 -50.72 62.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 4.4 m-20 -49.98 -52.44 33.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.869 HD21 HD11 ' A' ' 45' ' ' LEU . 33.6 mt -54.88 -48.83 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' SER . 61.8 mt-10 -46.63 -54.18 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -63.53 -45.7 89.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.72 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HE2' HD22 ' A' ' 54' ' ' LEU . 85.9 m-85 -67.57 -44.07 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 25.9 t -46.73 -31.84 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.6 72.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 92.6 m-85 -74.72 -44.03 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.86 169.63 39.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 112.99 3.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt -71.88 136.31 46.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -94.37 -37.97 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -154.3 139.2 17.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.4 tp -125.25 141.24 52.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.8 t60 -125.96 104.27 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -118.98 93.67 47.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.74 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.579 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 70' ' ' PRO . 23.3 mm -141.36 125.22 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.24 136.39 56.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -81.62 0.14 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 61.9 mt -106.4 -55.12 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.414 ' C ' ' HD3' ' A' ' 76' ' ' LYS . 6.2 p -87.41 -12.25 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 60.48 31.97 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -136.45 151.04 72.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.74 167.41 24.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 0.74 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.97 37.0 7.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -162.98 153.39 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.9 166.32 24.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -119.34 120.49 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.418 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.8 t -105.29 125.31 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 m -116.42 102.36 9.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -75.63 151.28 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.37 -32.65 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -124.15 146.29 50.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -38.94 6.94 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -52.77 -42.61 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -68.58 -51.4 43.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -42.83 -41.57 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.64 -50.96 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -49.63 -60.26 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.66 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.07 -17.73 54.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.66 -25.89 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -100.47 -58.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.503 ' O ' ' N ' ' A' ' 101' ' ' GLY . 63.9 t -52.01 -52.26 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -49.14 87.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 114.35 28.69 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.451 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.472 ' CG ' HD12 ' A' ' 109' ' ' LEU . 1.2 pt20 -118.51 150.32 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -96.9 140.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.0 110.16 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 58.33 34.65 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.02 31.27 55.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -141.0 112.15 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 11.6 mtp -65.63 117.48 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 102' ' ' GLN . 38.8 mt -82.5 125.33 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.96 120.78 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.8 135.23 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.1 tp -130.76 138.26 32.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.62 0.724 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.3 Cg_endo -69.77 126.25 13.08 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 115' ' ' THR . 2.1 m -119.05 126.05 50.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 114' ' ' SER . 1.3 p -160.19 160.94 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 116' ' ' ILE . 3.3 mp -82.08 112.99 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -90.69 117.61 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.22 148.73 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.61 169.94 16.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 52.17 44.72 29.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 m -109.52 91.37 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -54.86 121.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.7 m -88.55 142.14 27.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.06 145.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -27.84 25.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.7 p -125.51 149.72 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.3 m -52.73 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 t -148.01 165.28 31.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -75.1 105.7 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.93 178.03 49.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -98.83 110.04 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 m -82.84 154.45 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.67 38.42 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.4 p -77.69 104.15 8.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 0.0 110.869 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 46.8 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -79.29 140.91 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 92' ' ' ALA . 32.1 mt -145.06 139.52 27.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -86.32 131.74 34.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.1 130.86 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -133.07 166.7 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 3.5 t-20 74.95 54.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.998 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -95.14 107.41 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -47.0 124.78 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.801 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.75 -29.84 41.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -67.99 -21.99 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -78.62 151.38 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' ASP . 1.8 m -112.15 172.55 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.12 -34.51 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.66 -57.25 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -46.44 -53.55 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 45' ' ' LEU . 40.4 mt -47.18 -54.86 9.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' SER . 46.8 mt-10 -46.11 -53.53 10.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 1.1 mptm? -61.74 -55.22 32.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.1 tp -39.82 -66.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.538 ' HE2' HD22 ' A' ' 54' ' ' LEU . 80.2 m-85 -65.67 -47.54 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 t -35.76 -41.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -59.57 -44.07 93.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.77 171.83 42.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 60.5 mt -68.11 129.57 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t -87.71 -35.53 17.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -161.58 148.69 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.452 HD22 ' HG2' ' A' ' 55' ' ' GLU . 14.3 tp -130.6 143.98 51.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -129.6 100.97 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.91 93.64 38.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.721 0.772 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.78 137.91 36.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 70' ' ' PRO . 14.4 mm -138.77 129.35 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.39 125.01 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -71.39 -1.72 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.3 -55.54 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 p -91.03 -3.54 57.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 51.22 34.32 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -138.08 150.95 68.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.43 45.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -89.58 -4.56 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.36 38.42 4.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 4.3 p90 -162.57 153.23 17.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.02 167.16 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -124.76 117.58 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.6 t -103.23 134.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.3 m -122.22 112.6 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 25.4 m-85 -86.34 138.44 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.409 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 23.1 ttm -51.29 -48.36 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 87' ' ' MET . 34.6 m-85 -114.97 149.82 43.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.74 -37.96 8.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.754 2.303 . . . . 0.0 112.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 10.3 pt-20 -48.67 -48.51 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 15.3 m170 -70.64 -50.49 36.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -48.56 -31.96 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 89' ' ' PRO . 83.8 t -73.85 -44.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -57.94 -41.28 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.33 86.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.41 -21.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.86 28.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -98.06 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLY . 94.6 t -47.9 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 99' ' ' VAL . 25.6 t0 -34.44 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.19 11.42 9.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.535 ' CG ' HD12 ' A' ' 109' ' ' LEU . 3.8 pt20 -94.57 165.3 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.743 HG22 ' SD ' ' A' ' 108' ' ' MET . 48.5 t -118.12 132.86 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 109' ' ' LEU . 2.9 t80 -129.95 111.32 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 60.16 40.84 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.46 73.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -130.5 111.68 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.743 ' SD ' HG22 ' A' ' 103' ' ' VAL . 44.7 mmm -61.46 124.67 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 104' ' ' PHE . 69.9 mt -97.28 122.1 39.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -108.13 99.53 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 ' CG1' ' A' ' 99' ' ' VAL . 14.8 t -90.07 124.54 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.5 mm? -115.53 144.76 33.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.42 17.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t -131.31 146.06 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.2 p -141.38 164.67 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.1 120.42 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -75.11 115.28 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -171.45 132.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.39 137.31 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.49 140.11 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.8 t -85.19 95.64 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -129.21 102.04 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.3 p -126.57 149.18 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.5 150.24 5.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.4 19.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.5 m -120.72 -46.59 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.2 m -127.91 102.64 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m 62.63 42.57 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.5 m -49.0 105.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.38 120.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 34.7 t -78.61 130.8 36.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' SER . 57.1 p -37.67 120.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.36 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -119.85 -63.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' PHE . . . 38.88 36.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 2.0 tmm_? -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 mt -145.4 164.58 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -117.63 117.29 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.2 146.39 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt-85 -148.07 178.27 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 72.15 41.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.6 mm? -87.84 130.23 34.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.99 120.61 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -45.8 -45.07 14.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.7 p -51.4 -34.6 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.5 m -64.27 151.25 44.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 m -116.33 162.98 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.63 -44.4 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.69 -38.5 75.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.05 -42.15 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 45' ' ' LEU . 63.9 mt -64.86 -53.9 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.0 mt-10 -38.61 -56.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -59.59 -55.44 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.7 tp -40.76 -67.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 84' ' ' VAL . 76.4 m-85 -62.94 -54.04 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 9.1 t -35.82 -44.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.22 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -59.68 -44.55 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.86 41.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.88 34.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.17 128.87 44.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -81.83 -43.06 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.0 tp10 -155.44 155.35 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 18.9 tp -136.04 144.54 45.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -138.68 108.12 6.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' HD1' ' HB2' ' A' ' 82' ' ' ALA . 2.2 t80 -125.67 93.49 44.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.79 144.18 53.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mm -139.12 128.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.39 140.9 32.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -84.23 -11.12 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.45 -54.48 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -80.71 -23.78 39.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt 68.59 30.56 5.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -139.66 153.65 70.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.13 61.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -84.02 -6.49 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.63 39.26 4.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 11.2 p90 -160.7 145.55 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -152.3 173.59 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.06 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -127.33 108.79 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 58' ' ' PHE . 30.7 t -102.8 118.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -117.06 108.37 15.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLY . 88.7 m-85 -77.25 161.16 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.83 -44.61 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -117.3 142.16 29.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.78 -22.81 31.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 16.4 pt-20 -65.2 -46.52 80.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.46 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 36.6 m170 -68.3 -44.85 74.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.47 -34.8 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' PRO . 97.0 t -65.93 -49.44 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -50.52 -45.32 56.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.54 -53.55 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.9 t80 -54.7 -22.14 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.83 -39.17 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.64 -59.96 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.492 ' CG1' HG21 ' A' ' 111' ' ' VAL . 93.3 t -44.95 -56.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.186 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -44.85 97.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.95 22.68 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -108.82 155.0 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -101.46 134.66 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 109' ' ' LEU . 41.5 t80 -132.41 100.02 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 63.84 37.93 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.52 30.78 61.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -129.47 114.78 16.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 96.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 104' ' ' PHE . 53.1 mt -71.48 133.57 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -119.87 112.86 19.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.492 HG21 ' CG1' ' A' ' 99' ' ' VAL . 13.4 t -106.27 138.24 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.43 143.7 39.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.6 t -133.39 157.95 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -147.84 158.05 43.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 131.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -88.66 48.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -44.99 148.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.31 42.32 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -96.51 84.96 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -82.88 40.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -165.18 170.79 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 t -148.66 149.13 30.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.64 123.39 4.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.2 24.97 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 t -124.97 125.67 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 128' ' ' GLY . 7.9 t -149.86 146.54 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -139.65 128.33 23.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -62.63 -47.16 84.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.72 136.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -116.55 27.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -154.16 110.13 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.92 -85.51 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -169.85 148.2 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' CB ' ' A' ' 39' ' ' ARG . 1.5 ttp-105 -85.14 150.28 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' O ' ' A' ' 92' ' ' ALA . 52.6 mt -141.98 146.04 35.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 35.9 t80 -95.15 122.09 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.08 142.87 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -141.97 177.91 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.449 ' O ' HD23 ' A' ' 109' ' ' LEU . 2.1 t-20 68.58 53.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.016 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -97.29 121.04 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -66.99 127.66 33.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -48.68 -35.96 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -57.79 -31.88 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 m -73.37 143.83 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -114.85 155.92 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -42.8 -47.48 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.5 -47.49 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.66 -46.79 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 45' ' ' LEU . 39.1 mt -61.9 -46.77 87.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 mt-10 -49.17 -52.68 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -63.52 -53.82 45.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.96 -63.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.1 m-85 -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.6 t -38.99 -40.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.36 -46.44 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -65.28 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.87 179.69 46.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.18 11.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.6 mt -81.64 129.49 34.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 t -81.51 -45.07 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -158.77 136.16 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 55' ' ' GLU . 14.0 tp -117.94 141.47 48.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -126.22 102.04 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -116.88 93.54 41.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.73 136.92 34.31 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.402 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.439 HG23 ' C ' ' A' ' 77' ' ' LYS . 5.7 mm -139.72 129.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.73 152.27 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 74' ' ' LEU . 9.6 t -89.41 -19.21 25.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.811 ' H ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.58 -62.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.0 p -75.92 -20.41 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 35.56 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' HG23 ' A' ' 71' ' ' ILE . 77.1 mttt -141.05 155.24 68.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.34 44.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 25.6 mttt -67.68 -22.55 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.79 34.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 42.4 p90 -159.91 151.9 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.08 176.83 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 32.3 m-85 -135.35 121.73 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.3 t -105.64 130.65 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.24 110.13 18.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -87.87 134.38 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.1 ttm -52.36 -49.0 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.45 143.99 27.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -35.5 12.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -63.7 -34.24 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 54.1 m170 -70.87 -40.73 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -60.51 -37.06 79.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.54 -50.44 56.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -51.62 -44.43 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.6 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -57.89 -17.8 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.3 -27.44 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.27 -59.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.84 HG13 ' OE1' ' A' ' 102' ' ' GLN . 62.0 t -48.1 -56.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -44.15 96.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.63 21.16 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.84 ' OE1' HG13 ' A' ' 99' ' ' VAL . 0.3 OUTLIER -109.24 133.26 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 108' ' ' MET . 86.5 t -84.99 138.49 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.9 t80 -138.25 111.93 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 59.79 34.15 21.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.8 28.67 56.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.36 111.79 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.453 ' HG2' HG22 ' A' ' 103' ' ' VAL . 9.6 mtp -63.07 111.06 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 104' ' ' PHE . 66.9 mt -79.92 125.86 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -107.71 139.78 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.3 t -128.44 147.41 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.5 mt -146.79 144.39 20.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 132.44 23.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 t -133.06 115.85 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 p -123.04 175.48 6.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.84 130.07 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -100.0 105.05 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 131.26 22.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -126.89 94.81 4.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.02 127.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.2 t -116.28 86.56 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -140.38 140.05 35.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.5 p -131.16 162.61 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.27 83.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.13 3.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.611 2.207 . . . . 0.0 112.366 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.0 p -74.63 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.6 p -50.77 130.75 25.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.531 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -92.65 137.23 32.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -132.66 113.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -168.72 41.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -95.93 159.48 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.8 p -82.56 112.88 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.54 -73.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 t -131.53 133.19 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.31 35.62 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -88.82 136.45 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' O ' ' A' ' 92' ' ' ALA . 30.5 mt -131.54 160.54 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -105.32 124.52 49.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 11.2 t -121.2 146.45 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 5.9 ptp180 -142.96 -176.91 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' MET . 4.2 m120 64.0 39.79 7.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 54' ' ' LEU . 6.4 mt -86.87 112.24 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 p -55.42 131.77 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.62 -24.61 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -71.31 -34.83 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 t -55.19 145.49 21.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m -115.88 150.15 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.6 -33.9 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -70.89 -58.72 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.09 -44.76 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 45' ' ' LEU . 31.3 mt -63.61 -53.9 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 67' ' ' LEU . 28.1 mt-10 -40.63 -38.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -78.89 -41.62 29.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 tp -49.47 -57.16 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 89.0 m-85 -74.57 -49.44 21.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 6.1 t -36.48 -37.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.78 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -61.12 -34.31 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.32 177.34 47.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.01 3.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 58' ' ' PHE . 62.5 mt -70.6 140.86 51.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -94.76 -41.91 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -163.6 130.23 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.6 tp -107.7 148.21 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . 0.572 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t-80 -132.92 100.91 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.598 ' CE2' HD11 ' A' ' 71' ' ' ILE . 5.9 t80 -110.57 97.62 33.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.78 138.14 37.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 69' ' ' TYR . 10.4 mm -144.4 125.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 3.8 m-20 -58.53 133.61 55.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -79.98 -4.24 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.36 -56.25 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -89.38 -11.66 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 61.03 29.2 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -135.79 146.98 59.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.526 ' HB3' HD13 ' A' ' 71' ' ' ILE . 54.2 Cg_endo -69.75 156.46 63.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 72' ' ' ASP . 6.3 mptt -86.61 -7.61 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.14 3.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -160.29 152.49 20.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.86 178.41 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -131.0 122.8 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.6 t -109.86 124.5 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -111.44 102.67 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -77.67 157.78 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 mtp -74.64 -45.19 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -110.91 143.87 29.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.75 -27.07 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 8.6 pt-20 -61.15 -50.85 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 16.9 m170 -64.59 -41.53 96.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.626 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -51.57 -33.22 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.1 t -78.14 -50.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -50.67 -43.57 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.14 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 5.3 t80 -61.84 -20.95 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.71 -36.77 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -91.35 -58.87 2.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.513 ' CG1' HG21 ' A' ' 111' ' ' VAL . 77.6 t -45.8 -61.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -43.15 94.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.01 25.18 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.473 ' N ' ' HE1' ' A' ' 108' ' ' MET . 0.8 OUTLIER -118.54 145.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.19 142.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.533 ' HB2' HD11 ' A' ' 109' ' ' LEU . 11.8 t80 -137.37 115.98 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 51.61 30.46 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.74 30.54 35.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -133.51 115.1 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -64.96 100.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 104' ' ' PHE . 81.6 mt -75.4 129.04 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' HIS . . . . . 0.445 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 0.5 OUTLIER -115.7 115.22 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.513 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.1 t -104.45 144.85 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.54 151.92 48.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 133.2 25.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 t -91.73 139.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 117' ' ' LYS . 70.1 p -146.1 142.59 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 116' ' ' ILE . 5.2 mp -55.9 84.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 115' ' ' THR . 1.7 ttmp? 33.99 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 116' ' ' ILE . 33.9 tttt -103.15 124.45 48.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -128.9 90.04 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.18 158.93 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -63.35 130.13 43.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -135.37 141.49 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -165.76 142.95 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.09 145.6 10.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.36 4.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 m -123.01 113.5 19.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' GLY . 30.2 t -117.98 120.79 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.09 141.69 43.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.63 136.29 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 13.6 t80 -89.33 113.98 25.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.56 146.35 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -147.34 174.36 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t30 70.67 54.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.9 mm? -100.29 126.06 46.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -65.25 132.67 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.23 -10.58 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 p -85.22 -9.86 57.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 t -82.34 150.41 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' GLU . 43.6 m -119.07 142.03 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' SER . 27.2 tt0 -34.78 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.6 tt0 -71.85 -52.65 16.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -44.4 -45.75 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.519 HD21 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -63.77 -48.61 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.5 mt-10 -45.05 -45.69 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -71.54 -42.33 68.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.691 HD11 HE22 ' A' ' 102' ' ' GLN . 17.1 tp -52.07 -51.32 58.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.878 ' CE2' HG21 ' A' ' 84' ' ' VAL . 51.4 m-85 -79.93 -51.41 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 14.4 t -34.97 -48.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.95 -54.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -56.99 -38.28 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' SER . . . 174.76 -173.69 46.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.9 26.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 58' ' ' PHE . 54.7 mt -94.93 123.67 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 87' ' ' MET . 0.7 OUTLIER -69.57 -41.55 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -165.52 142.84 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -117.87 141.36 48.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -128.21 104.75 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 54' ' ' LEU . 1.8 t80 -120.52 93.58 48.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.76 139.57 40.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 77' ' ' LYS . 7.1 mm -139.61 127.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.19 133.38 39.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -76.63 -2.0 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -105.69 -61.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.1 p -80.72 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 29.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 71' ' ' ILE . 15.0 pttt -132.3 152.07 79.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.914 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.446 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.3 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' LYS . 3.9 mptt -95.45 3.01 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.51 29.16 17.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.03 151.53 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -157.43 166.06 34.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 40.6 m-85 -123.34 119.13 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 ' CE2' ' A' ' 58' ' ' PHE . 95.1 t -105.3 128.85 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -113.43 108.75 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -86.0 143.23 28.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.438 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -64.28 -46.95 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -112.15 146.05 34.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.7 12.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -49.78 -48.14 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -69.13 -47.57 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.51 -36.92 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.04 -48.81 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -54.6 -39.31 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.85 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 6.1 t80 -64.7 -18.27 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.69 -32.77 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -94.14 -56.6 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' GLY . 88.3 t -52.68 -52.0 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.27 85.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.21 27.25 1.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.691 HE22 HD11 ' A' ' 57' ' ' LEU . 6.4 pt20 -113.19 167.73 10.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.71 134.68 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -143.82 116.65 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 61.69 31.84 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.29 32.88 59.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -142.84 112.62 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.4 mtp -63.03 114.56 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' CD ' ' A' ' 102' ' ' GLN . 66.7 mt -79.23 129.85 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -114.8 125.19 53.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.415 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.1 t -119.58 132.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -132.32 148.31 69.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 125.87 12.68 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -81.3 145.51 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -146.8 160.1 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -108.54 131.81 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.4 t -132.66 132.94 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -133.42 176.96 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HD23 ' A' ' 109' ' ' LEU . 6.2 t30 70.07 51.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.834 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -93.78 130.43 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 p -74.18 121.78 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.46 -23.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.3 p -65.9 -40.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.0 m -69.74 146.09 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -113.94 158.51 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -43.64 -44.63 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.39 -47.94 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.74 -49.92 64.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.834 HD21 HD11 ' A' ' 45' ' ' LEU . 50.2 mt -55.35 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.4 mt-10 -44.54 -51.31 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -67.73 -46.73 71.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 tp -46.59 -62.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.666 ' CE2' HG21 ' A' ' 84' ' ' VAL . 64.5 m-85 -68.94 -48.52 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.9 t -38.21 -44.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.73 -51.67 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -60.37 -45.73 92.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.99 -173.48 39.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.24 44.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.7 121.67 42.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.683 ' HB3' HG22 ' A' ' 85' ' ' THR . 31.0 t -72.64 -44.14 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -161.28 145.02 13.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.425 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.3 tp -124.52 148.23 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -136.77 105.37 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' HD11 ' A' ' 71' ' ' ILE . 3.2 t80 -115.82 93.62 38.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.696 0.76 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.82 137.74 35.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 78' ' ' PRO . 8.9 mm -143.8 127.24 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.62 143.94 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t -86.18 -11.1 53.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -99.98 -56.64 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 p -82.1 -11.3 58.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.34 31.48 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -137.25 148.53 62.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.649 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.82 163.37 38.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.339 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.18 -1.52 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 36.44 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.9 p90 -156.99 152.22 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.74 174.5 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -128.31 118.63 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 58' ' ' PHE . 48.8 t -103.9 128.75 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.683 HG22 ' HB3' ' A' ' 65' ' ' SER . 90.7 m -120.71 118.79 30.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -94.71 157.49 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -44.19 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -113.34 145.7 33.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 Cg_endo -69.74 -38.77 7.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 12.6 pt-20 -50.44 -43.65 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 17.8 m170 -72.71 -45.88 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.95 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 89' ' ' PRO . 65.4 t -65.85 -49.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -53.18 -42.9 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -64.57 -48.67 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -58.29 -20.58 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.44 -37.4 21.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.33 -58.33 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.547 HG13 ' NE2' ' A' ' 102' ' ' GLN . 85.6 t -47.81 -57.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.39 15.24 21.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.547 ' NE2' HG13 ' A' ' 99' ' ' VAL . 13.4 pt20 -95.53 149.85 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.2 127.65 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.493 ' HB2' HD11 ' A' ' 109' ' ' LEU . 9.3 t80 -130.65 100.29 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 69.49 25.94 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.77 32.96 31.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.97 116.95 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.579 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -66.83 99.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 44' ' ' ASN . 47.1 mt -77.56 118.15 19.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.39 109.74 21.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.53 HG21 HG12 ' A' ' 99' ' ' VAL . 18.7 t -98.98 115.45 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.78 144.07 27.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.48 32.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.84 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.367 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -81.53 136.68 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 92' ' ' ALA . 83.1 mt -140.93 144.21 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -101.91 131.78 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.7 t -133.0 143.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -144.67 171.79 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 109' ' ' LEU . 0.6 OUTLIER 74.81 49.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.988 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -92.56 150.84 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -83.44 115.5 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.4 -44.17 3.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.8 p -56.15 -36.36 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -59.36 148.66 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.1 m -115.55 156.7 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.79 -43.63 3.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -56.97 -52.52 64.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD2' ' CE2' ' A' ' 104' ' ' PHE . 10.3 t0 -46.14 -46.8 17.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.988 HD21 HD11 ' A' ' 45' ' ' LEU . 28.8 mt -61.29 -51.11 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.509 ' HG3' HD22 ' A' ' 67' ' ' LEU . 33.8 mt-10 -49.13 -55.98 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -57.7 -48.87 78.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.606 HD21 HE22 ' A' ' 102' ' ' GLN . 21.2 tp -48.44 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HE1' HG11 ' A' ' 99' ' ' VAL . 62.8 m-85 -66.5 -58.71 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 42.9 t -34.79 -44.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.82 -49.52 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -62.19 -46.24 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.33 176.8 42.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.23 15.79 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.248 . . . . 0.0 112.393 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.1 163.43 15.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -111.92 -49.15 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.3 tp10 -151.21 144.81 24.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -123.12 148.8 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 41.8 t-80 -132.57 101.96 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.7 t80 -116.25 94.23 41.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.67 147.66 63.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mm -143.66 142.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.4 146.89 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -85.37 -8.83 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.56 -54.87 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -83.53 -8.4 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.67 30.67 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -136.8 155.39 76.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.514 0.674 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.38 66.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -20.26 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.63 43.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.7 p90 -163.0 148.4 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -161.44 164.94 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.93 115.16 20.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 67' ' ' LEU . 93.8 t -105.33 135.34 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -124.18 104.42 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.55 154.73 41.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.1 mmt -64.93 -48.82 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 91' ' ' HIS . 81.8 m-85 -110.38 147.53 36.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.692 0.758 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.44 7.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.72 -25.06 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 39.2 m170 -82.3 -44.9 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.402 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -51.73 -38.18 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.12 -58.72 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -45.34 -43.22 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.06 -48.97 40.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 1.4 t80 -54.5 -22.68 13.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.21 -41.9 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.57 -58.33 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.599 HG13 ' NE2' ' A' ' 102' ' ' GLN . 57.6 t -44.07 -55.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.73 100.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.08 29.88 7.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.606 HE22 HD21 ' A' ' 57' ' ' LEU . 11.7 pt20 -104.72 146.16 29.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.09 130.62 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 8.1 t80 -133.72 106.15 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 61.78 27.6 16.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.54 30.54 26.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HD3' ' ND2' ' A' ' 44' ' ' ASN . 2.9 mmp_? -132.4 113.02 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 tpt -68.83 95.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 44' ' ' ASN . 34.8 mt -70.62 138.24 50.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -117.35 130.26 56.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.501 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.0 t -121.0 133.55 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.7 mt -135.8 143.62 45.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.62 14.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.842 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -92.69 135.83 33.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.84 136.51 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 15.1 t80 -95.09 129.56 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.62 132.98 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -132.38 175.47 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 47.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 54' ' ' LEU . 3.3 mm? -85.26 141.87 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' A' ' 107' ' ' ARG . 1.1 t -81.33 130.43 35.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -62.02 -19.25 62.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.979 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.7 p -81.92 -11.76 58.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.3 m -83.18 154.97 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.6 m -119.27 154.26 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -50.83 -38.01 46.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.94 -44.3 94.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 45' ' ' LEU . 15.5 mt -58.65 -52.47 65.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' SER . 48.4 mt-10 -45.66 -56.51 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 8.7 mptt -60.16 -51.95 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 tp -40.36 -68.06 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.5 m-85 -65.24 -48.82 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 28.3 t -38.45 -46.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.02 -44.72 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.72 177.45 42.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.47 3.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.78 140.61 51.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.2 t -94.82 -32.45 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.06 143.87 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.656 HD12 HG22 ' A' ' 84' ' ' VAL . 13.7 tp -123.62 146.68 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.83 101.26 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.67 93.61 33.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.677 0.751 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.73 142.21 47.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 78' ' ' PRO . 15.1 mm -143.37 131.26 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.72 147.84 31.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.8 m -91.14 -6.43 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -106.13 -48.61 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -91.34 -9.31 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER 53.07 25.08 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -129.27 147.03 63.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.486 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -4.18 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.22 4.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.6 p90 -159.63 152.66 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.85 172.62 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 22.4 m-85 -135.95 117.3 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 HD12 ' A' ' 67' ' ' LEU . 60.7 t -107.07 140.12 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 m -124.71 106.05 9.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -73.8 150.46 41.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.2 mtp -68.11 -42.08 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -111.99 144.05 29.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.57 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.616 ' CD ' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -55.45 -25.14 34.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CD2' ' CD ' ' A' ' 90' ' ' GLU . 54.9 m170 -85.36 -29.42 24.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.43 -34.91 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -54.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.07 -39.0 63.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.44 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.0 t80 -69.57 -20.24 63.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.14 -25.01 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.476 HG13 ' NE2' ' A' ' 102' ' ' GLN . 86.0 t -51.27 -55.94 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 10.9 p-10 -44.25 96.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.9 31.41 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.476 ' NE2' HG13 ' A' ' 99' ' ' VAL . 9.5 pt20 -118.79 136.23 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.75 124.23 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.635 ' CB ' HD11 ' A' ' 109' ' ' LEU . 69.9 t80 -124.65 103.96 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 64.17 30.45 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.52 57.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 46' ' ' SER . 6.2 mmt180 -128.38 115.71 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.9 98.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.635 HD11 ' CB ' ' A' ' 104' ' ' PHE . 84.9 mt -73.68 123.39 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -109.39 125.29 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.81 136.19 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 113' ' ' PRO . 14.2 tp -134.59 138.59 30.31 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.7 Cg_endo -69.75 126.19 13.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.312 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.39 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -78.99 135.15 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 92' ' ' ALA . 28.3 mt -133.66 145.32 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -94.41 131.55 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -133.33 147.17 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -148.95 179.66 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 t30 65.3 52.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm? -99.86 118.02 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -51.27 126.04 15.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.07 -29.19 57.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.8 p -64.71 -17.68 64.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -85.11 152.99 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.55 163.04 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.93 -33.2 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.88 -60.0 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.87 -49.19 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 69' ' ' TYR . 59.5 mt -54.66 -63.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' SER . 84.4 mt-10 -36.57 -54.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.46 -56.89 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.614 HD11 HE22 ' A' ' 102' ' ' GLN . 14.1 tp -38.24 -66.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.9 m-85 -66.05 -58.08 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 29.7 t -35.54 -35.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -49.09 -49.41 41.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -61.36 -39.46 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.44 179.51 45.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.5 14.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -86.31 165.67 16.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -117.89 -42.52 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.9 tt0 -157.48 145.94 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' HG3' ' A' ' 55' ' ' GLU . 20.4 tp -127.93 147.14 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.584 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 31.0 t-80 -132.42 104.5 6.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -117.25 93.5 42.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.75 140.66 43.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 70' ' ' PRO . 25.3 mm -138.7 127.13 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -59.5 128.58 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.0 m -76.52 2.68 13.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.9 mt -104.9 -56.19 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -90.27 -13.55 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt 64.78 29.61 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -138.67 147.92 56.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.503 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.5 Cg_endo -69.72 136.58 33.46 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -65.87 -30.1 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.2 46.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 8.1 p90 -163.03 147.18 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.45 157.52 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -111.15 118.54 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.33 129.46 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -117.35 109.05 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.73 149.75 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.595 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -64.42 -48.82 73.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -111.37 149.43 40.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 17.1 pt-20 -48.29 -46.28 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 19.2 m170 -65.54 -44.67 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.427 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -52.55 -17.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.3 t -81.93 -46.35 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -59.33 -50.98 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -54.91 -41.24 70.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.09 -27.9 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.36 -54.52 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 87.1 t -51.74 -55.06 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -55.07 82.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 127.03 22.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.614 HE22 HD11 ' A' ' 57' ' ' LEU . 7.3 pt20 -115.73 159.15 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.6 t -109.13 134.84 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB2' HD11 ' A' ' 109' ' ' LEU . 19.6 t80 -127.86 120.02 26.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 45.36 36.28 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.71 31.12 41.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -139.94 111.65 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 mtp -63.18 118.1 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 104' ' ' PHE . 72.4 mt -86.09 125.76 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -110.93 130.43 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.433 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.5 t -126.84 130.4 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -127.81 143.94 49.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.3 22.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.818 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -76.62 129.17 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.12 139.67 53.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -90.43 116.11 28.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.22 131.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -132.77 175.41 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 109' ' ' LEU . 1.9 t30 74.8 55.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.852 HD11 HD21 ' A' ' 54' ' ' LEU . 4.6 mm? -99.23 122.55 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.46 126.9 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -51.79 -27.05 11.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 m -67.35 152.57 45.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 166.21 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.81 -48.35 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.08 -51.08 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -46.61 -55.69 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 45' ' ' LEU . 38.7 mt -52.27 -53.45 43.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' SER . 49.1 mt-10 -41.78 -53.86 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -62.55 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.7 tp -36.37 -68.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.666 ' HE2' HD22 ' A' ' 54' ' ' LEU . 86.1 m-85 -61.62 -49.81 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.9 t -39.06 -41.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.33 -46.19 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.52 -39.0 91.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.14 44.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 87' ' ' MET . 54.4 Cg_endo -69.68 151.67 69.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.731 2.287 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.35 124.21 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 t -74.03 -37.46 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -170.14 144.23 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.68 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -120.68 142.65 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 35.1 t-80 -131.55 111.1 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -122.79 93.91 47.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.77 48.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HD3' ' A' ' 78' ' ' PRO . 11.9 mm -143.96 129.04 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.426 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 4.7 m-20 -54.84 145.33 20.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.1 p -88.6 -13.38 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.68 -51.99 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 p -82.08 -25.09 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm 69.43 35.52 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -145.55 154.67 52.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.75 152.75 69.42 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.389 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 8.9 mptt -79.39 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.22 31.32 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 2.6 p90 -157.59 157.08 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.89 176.25 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -132.36 112.99 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 67' ' ' LEU . 88.9 t -108.15 126.52 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.33 136.0 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.585 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 30.2 m-85 -110.45 146.11 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 63' ' ' PRO . 10.9 mtm -66.66 -45.61 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -106.56 141.52 22.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.511 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.74 -44.36 2.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.0 pt-20 -46.28 -49.28 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 18.0 m170 -68.93 -44.57 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -55.21 -27.62 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 89' ' ' PRO . 98.2 t -77.76 -54.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -47.78 -42.98 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.2 -42.91 79.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 3.3 t80 -65.68 -23.08 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -31.72 31.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.48 -58.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 111' ' ' VAL . 94.0 t -44.47 -48.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.72 96.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.39 30.24 4.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.573 HE21 HD12 ' A' ' 109' ' ' LEU . 12.5 pt20 -115.31 155.87 26.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -102.67 134.71 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.8 t80 -132.67 100.27 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 62.34 45.16 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.09 25.4 75.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -135.5 111.66 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 9.0 mtp -67.21 116.55 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.573 HD12 HE21 ' A' ' 102' ' ' GLN . 55.7 mt -85.92 123.81 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -106.51 117.99 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.548 ' CG2' HG12 ' A' ' 99' ' ' VAL . 13.8 t -108.47 137.65 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.563 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -135.82 138.01 26.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.563 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.5 Cg_endo -69.77 130.83 20.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.868 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.72 132.63 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -139.25 132.04 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -91.34 126.93 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -130.29 144.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 22.6 ptt180 -140.92 175.47 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.8 t30 72.45 50.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.883 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -92.28 134.68 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 p -72.72 129.11 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.86 -31.57 50.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -68.12 -22.14 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -72.12 150.79 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -123.63 159.61 28.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG2' HD23 ' A' ' 67' ' ' LEU . 19.9 tt0 -47.11 -32.63 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.91 -60.69 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -42.42 -48.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 45' ' ' LEU . 49.1 mt -62.11 -56.98 13.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 67' ' ' LEU . 18.2 mt-10 -38.61 -55.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 3.6 mptp? -59.66 -57.66 11.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LYS . 30.8 tp -36.07 -64.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' HE2' HD22 ' A' ' 54' ' ' LEU . 94.5 m-85 -66.43 -52.69 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' PHE . 3.3 t -36.98 -46.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -50.46 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -60.43 -40.46 91.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.69 -179.9 45.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 129.97 18.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.94 133.37 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.4 t -86.04 -35.58 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -170.56 139.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.581 HD22 ' HG3' ' A' ' 55' ' ' GLU . 16.3 tp -117.65 144.72 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -129.12 101.1 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.417 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.5 t80 -114.43 93.57 32.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.916 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.11 39.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.493 HD12 ' HD3' ' A' ' 78' ' ' PRO . 13.6 mm -136.83 140.82 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.58 143.31 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 t -84.12 -7.9 59.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.72 -59.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -76.08 -17.16 59.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 61.46 32.37 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -142.66 151.24 56.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.4 Cg_endo -69.77 140.53 42.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.392 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -67.23 -16.49 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.8 43.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -161.78 149.21 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.36 171.33 19.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -129.44 118.91 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.1 t -104.93 119.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -110.65 117.01 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -89.39 161.42 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.0 mtt -76.98 -43.1 36.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -114.99 149.26 42.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.83 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.556 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.4 pt-20 -44.18 -51.51 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.556 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 14.3 m170 -67.5 -42.86 82.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.23 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.78 -46.46 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -54.58 -47.23 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.09 69.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE1' ' HD3' ' A' ' 113' ' ' PRO . 5.5 t80 -56.34 -20.44 19.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.02 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -93.68 -59.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.486 HG13 ' OE1' ' A' ' 102' ' ' GLN . 46.6 t -47.35 -56.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -48.68 92.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 113.32 21.07 5.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.486 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.6 pt20 -111.62 146.15 37.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.86 126.48 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.409 ' CB ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -123.47 96.42 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 72.16 28.46 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.59 23.16 56.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -122.87 116.52 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.448 ' HE2' ' HA ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -68.17 94.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 44' ' ' ASN . 78.4 mt -70.41 135.73 48.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.442 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 12.8 m170 -120.01 112.22 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.17 128.38 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.53 HD12 ' HD2' ' A' ' 113' ' ' PRO . 10.9 tp -126.4 138.48 32.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' HD12 ' A' ' 112' ' ' LEU . 54.1 Cg_endo -69.77 138.62 38.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.83 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.486 -0.245 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -79.15 145.27 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' A' ' 92' ' ' ALA . 41.9 mt -138.39 151.05 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 18.1 t80 -105.46 109.71 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 t -111.86 131.97 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -133.61 173.45 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 72.68 52.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -96.87 138.75 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 p -79.79 124.7 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -47.11 -40.72 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -53.37 -31.93 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 m -68.57 144.47 54.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.6 m -112.12 147.34 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 37.0 tt0 -34.57 -36.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' SER . 40.0 tt0 -65.13 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLU . 11.2 t0 -35.06 -38.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 45' ' ' LEU . 20.8 mt -64.82 -55.4 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.701 ' HG3' HD22 ' A' ' 67' ' ' LEU . 23.6 mt-10 -54.04 -46.46 71.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.66 -27.98 69.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -75.03 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.818 ' CE2' HG21 ' A' ' 84' ' ' VAL . 49.8 m-85 -65.89 -52.09 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 38.9 t -41.04 -29.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.27 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.24 -21.19 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.54 -173.81 38.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.88 58.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -104.19 163.87 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -115.41 -45.7 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.52 147.42 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.701 HD22 ' HG3' ' A' ' 55' ' ' GLU . 12.3 tp -125.38 142.41 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.545 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 8.9 t-80 -130.72 100.98 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -113.31 93.98 29.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.718 0.771 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.76 137.48 35.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.1 mm -140.58 132.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.7 147.52 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -84.63 -16.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.69 -59.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.0 p -75.18 -17.2 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 59.15 28.05 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -133.69 155.64 80.26 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 162.54 41.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -89.82 -13.34 36.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 33.38 2.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 4.2 p90 -162.94 158.49 22.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.84 175.59 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 56.7 m-85 -128.74 120.33 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.818 HG21 ' CE2' ' A' ' 58' ' ' PHE . 39.1 t -111.67 129.09 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 m -116.55 104.03 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 49.0 m-85 -71.71 160.77 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.583 ' HE2' ' HA ' ' A' ' 87' ' ' MET . 2.1 mmt -69.33 -48.39 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -110.24 147.98 37.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.69 -33.58 16.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 91' ' ' HIS . 18.1 pt-20 -61.14 -47.04 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 90' ' ' GLU . 27.0 m170 -63.09 -48.31 79.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -50.36 -35.1 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 89' ' ' PRO . 96.3 t -67.56 -48.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.7 76.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -60.65 -19.96 59.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.23 -35.08 20.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.01 -58.84 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 59.8 t -47.59 -52.26 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.63 88.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.09 23.42 2.45 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.76 153.51 28.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -96.8 141.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.467 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.4 t80 -133.76 108.51 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 52.77 28.62 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.21 32.26 12.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -136.5 123.12 20.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.23 97.85 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 104' ' ' PHE . 99.0 mt -67.54 124.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 9.3 m170 -109.06 111.2 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.91 138.25 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.05 135.1 14.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 54.1 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.872 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.257 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.39 138.63 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.22 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.05 139.0 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -139.76 -178.64 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 108' ' ' MET . 5.0 t30 67.72 50.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -93.37 132.57 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -70.54 115.97 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -44.37 -25.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.0 p -67.71 -40.26 84.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 153.04 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -118.08 158.16 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -42.65 -40.71 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.12 -56.91 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.9 -46.68 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 32.9 mt -59.76 -51.83 68.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' SER . 17.4 mt-10 -44.27 -57.61 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 7.1 mptt -59.31 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -39.67 -66.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' SER . 59.9 m-85 -66.14 -53.39 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 18.0 t -35.52 -39.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.21 8.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.53 45.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.11 29.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 mt -96.0 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 t -92.79 -46.99 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -154.14 145.84 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.2 tp -124.5 148.0 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.524 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 6.1 t-80 -135.11 104.64 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -119.14 100.25 50.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.7 Cg_endo -69.73 138.15 37.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.474 HD13 ' O ' ' A' ' 70' ' ' PRO . 22.7 mm -140.95 123.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.06 131.84 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -75.97 -1.96 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 35.6 mt -103.91 -55.89 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 p -90.68 -1.58 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER 51.37 27.11 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -131.88 149.85 74.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.84 151.68 68.69 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -77.1 -12.32 59.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.52 34.23 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 3.2 p90 -155.75 151.03 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.355 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.76 173.98 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -133.16 117.19 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.0 t -105.29 136.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.0 m -124.96 103.23 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 27.5 m-85 -72.73 152.58 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.8 mtp -69.22 -44.31 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.48 144.81 33.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.5 Cg_endo -69.79 -33.56 16.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 15.6 pt-20 -60.57 -32.29 71.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.557 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 28.7 m170 -81.21 -48.2 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -49.86 -38.78 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 89' ' ' PRO . 95.3 t -65.3 -50.77 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -53.97 -40.25 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.42 -52.99 18.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.1 t80 -53.07 -20.84 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.96 -40.67 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.02 -59.34 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' GLN . 57.4 t -45.03 -63.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' VAL . 2.5 t70 -36.7 95.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.86 20.47 8.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . 8.4 pt20 -103.83 130.22 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.7 t -79.66 141.95 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 109' ' ' LEU . 20.4 t80 -139.76 105.15 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.45 27.56 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 32.23 14.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -136.49 122.44 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.2 98.09 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 104' ' ' PHE . 71.0 mt -73.81 117.9 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.0 138.19 39.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.7 t -130.42 123.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 112' ' ' LEU . 3.6 mm? -116.72 144.13 32.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.826 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 1.3 tmm_? -75.02 137.82 41.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 92' ' ' ALA . 18.4 mt -141.45 153.51 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 14.0 t80 -97.77 125.82 42.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.86 141.77 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -141.74 173.62 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.3 t30 73.95 47.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -89.52 131.16 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 p -75.29 128.69 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.82 -17.4 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 p -77.98 -29.15 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 t -59.34 156.73 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.8 m -122.17 139.81 53.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt0 -41.51 -26.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 6.0 tm-20 -86.72 -41.2 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.0 t0 -55.52 -35.36 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 45' ' ' LEU . 31.4 mt -67.28 -57.18 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.654 ' OE1' HD12 ' A' ' 64' ' ' LEU . 5.7 mm-40 -40.29 -47.07 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -65.19 -45.91 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.0 tp -51.57 -60.45 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.678 ' HE1' HD22 ' A' ' 54' ' ' LEU . 96.0 m-85 -68.66 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.0 t -46.16 -43.85 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.88 -33.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.94 -41.09 30.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 -178.86 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.8 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' OE1' ' A' ' 55' ' ' GLU . 54.3 mt -86.26 134.49 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 t -86.2 -43.68 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 tp10 -156.96 149.43 23.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.445 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 13.7 tp -120.48 147.15 45.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.439 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 11.6 t-80 -133.61 100.83 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' A' ' 71' ' ' ILE . 4.4 t80 -118.42 98.93 51.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.74 136.73 33.79 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 78' ' ' PRO . 9.7 mm -142.4 126.58 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -52.36 145.82 10.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -85.0 -11.81 54.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.14 -57.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 p -75.75 -20.94 57.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 62.93 32.23 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.402 ' C ' HG23 ' A' ' 71' ' ' ILE . 28.2 mtmm -137.24 153.99 75.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.461 ' CA ' HD13 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.76 152.79 69.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -82.26 -7.43 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.11 34.76 4.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 15.3 p90 -160.03 156.74 27.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.94 169.56 20.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 35.4 m-85 -128.24 119.5 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.55 134.86 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -122.95 111.88 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -85.71 162.17 18.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.36 -47.33 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.99 147.5 34.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.3 -23.77 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 65.3 m170 -77.9 -37.73 47.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -67.16 -29.14 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.4 t -68.26 -55.83 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -53.5 -39.53 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -69.94 -49.33 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -61.43 -22.88 65.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.79 -59.12 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' NE2' ' A' ' 102' ' ' GLN . 65.9 t -45.38 -52.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -48.73 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 111.43 32.34 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.523 ' NE2' HG13 ' A' ' 99' ' ' VAL . 9.1 pt20 -117.99 128.86 55.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.94 136.07 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' A' ' 109' ' ' LEU . 54.8 t80 -136.37 114.79 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 57.12 26.23 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.39 32.88 18.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -139.42 115.86 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.578 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 5.9 tpt -63.23 96.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 104' ' ' PHE . 60.1 mt -67.58 122.34 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -109.13 131.05 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.65 ' C ' HD22 ' A' ' 112' ' ' LEU . 11.3 t -120.89 133.42 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.0 mm? -128.63 143.99 50.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.12 15.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.242 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.2 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.562 -0.215 . . . . 0.0 112.562 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -119.0 142.27 47.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -102.62 130.86 49.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.3 144.82 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 179.09 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 5.3 t30 67.44 50.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.021 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -90.64 136.01 33.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -73.63 123.83 24.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.55 -20.17 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -72.6 -34.44 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.1 m -72.38 154.87 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -120.58 154.44 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CG ' HD23 ' A' ' 67' ' ' LEU . 32.0 tt0 -37.82 -33.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 21.0 tt0 -63.35 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLU . 1.1 m-20 -35.83 -52.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.021 HD21 HD11 ' A' ' 45' ' ' LEU . 73.5 mt -53.11 -60.71 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HG3' HD22 ' A' ' 67' ' ' LEU . 67.1 mt-10 -38.47 -53.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -64.5 -59.41 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' LYS . 12.3 tp -36.42 -57.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -69.98 -46.34 65.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -43.0 -37.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.77 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.74 -35.64 72.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.5 -176.68 47.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.35 21.0 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 55' ' ' GLU . 67.6 mt -91.26 152.46 20.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -103.45 -44.5 5.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -160.13 148.38 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.5 tp -129.06 142.8 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -127.24 105.06 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -112.61 93.61 24.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.573 ' CG ' ' CE1' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.8 141.9 46.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 72' ' ' ASP . 3.8 mm -140.39 154.29 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 2.5 t70 -82.66 131.65 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 t -76.41 2.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -105.28 -59.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p -90.11 -11.66 40.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 62.89 26.76 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -127.08 148.54 66.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.71 31.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -66.63 -15.8 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.3 38.7 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CE1' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.19 145.13 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.72 167.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.08 120.62 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 67' ' ' LEU . 62.5 t -106.27 119.92 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.7 m -109.25 104.43 13.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -76.99 152.31 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -61.56 -46.41 90.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.15 145.96 37.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.33 7.89 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' HIS . 17.2 pt-20 -52.72 -44.59 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 42.7 m170 -69.99 -41.61 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.92 66.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.52 -47.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -55.99 -41.49 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.17 81.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.73 -22.21 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.85 -26.36 24.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -99.85 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.575 HG13 HE21 ' A' ' 102' ' ' GLN . 90.4 t -53.14 -58.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -39.0 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 112.0 29.77 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.575 HE21 HG13 ' A' ' 99' ' ' VAL . 3.2 pt20 -109.15 156.95 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.29 139.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.559 ' HB2' HD11 ' A' ' 109' ' ' LEU . 5.7 t80 -141.79 109.27 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 57.18 27.91 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.14 31.98 33.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.3 mmp_? -130.01 113.73 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.572 ' SD ' ' CD2' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -64.52 101.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 104' ' ' PHE . 56.9 mt -79.95 132.57 36.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.572 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 12.0 m170 -115.53 136.28 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.28 130.12 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 113' ' ' PRO . 8.3 tp -129.96 139.8 36.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.8 Cg_endo -69.73 130.79 20.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -75.13 135.7 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 92' ' ' ALA . 82.9 mt -145.38 132.77 20.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.503 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 26.0 t80 -91.67 129.82 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -130.97 149.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -147.82 171.37 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 108' ' ' MET . 6.0 t30 71.15 54.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.586 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.7 mm? -101.42 106.51 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -42.27 120.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.4 -28.39 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -61.42 -34.67 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -66.26 154.83 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -120.71 159.67 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -39.94 -45.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.33 -49.74 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.9 -31.62 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 45' ' ' LEU . 43.0 mt -77.65 -51.17 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.5 mt-10 -51.93 -53.34 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.655 HD11 HE22 ' A' ' 102' ' ' GLN . 13.2 tp -71.08 -59.16 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.612 ' CE2' HG21 ' A' ' 84' ' ' VAL . 69.1 m-85 -70.79 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 12.7 t -37.26 -50.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.8 -44.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -65.18 -41.35 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -170.51 176.69 43.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.6 Cg_endo -69.76 124.21 10.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.9 mt -83.71 161.95 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -119.5 -37.16 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -159.05 146.94 17.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -132.79 144.98 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -133.24 102.47 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.1 t80 -117.01 93.62 42.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 53.4 Cg_endo -69.74 148.33 64.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.539 HD12 ' HD3' ' A' ' 78' ' ' PRO . 22.1 mm -139.94 143.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 75' ' ' THR . 8.5 t0 -68.87 132.4 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -76.08 -6.45 51.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -107.32 -55.16 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 72' ' ' ASP . 6.6 p -84.63 -5.92 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.5 27.22 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -135.07 151.29 75.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.539 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.72 145.51 57.62 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -68.36 -20.1 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 42.88 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 18.1 p90 -162.43 150.98 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -161.16 161.55 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 12.8 m-85 -117.94 119.27 34.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.612 HG21 ' CE2' ' A' ' 58' ' ' PHE . 61.4 t -102.99 133.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.8 m -121.66 100.87 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 32.8 m-85 -73.67 153.2 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.33 -39.82 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -119.85 151.82 52.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.72 -46.42 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -54.13 -32.24 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 47.5 m170 -80.72 -26.9 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.547 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -78.56 -13.29 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PRO . 85.1 t -84.42 -47.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -53.65 -46.87 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.57 -50.56 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -63.78 -18.19 63.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.64 -36.88 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.4 -56.38 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.979 HG13 HE21 ' A' ' 102' ' ' GLN . 66.6 t -51.07 -54.02 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -49.67 98.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.12 5.6 13.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.416 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.979 HE21 HG13 ' A' ' 99' ' ' VAL . 13.2 pt20 -102.4 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -117.17 135.99 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -125.95 105.15 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 68.22 32.32 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.55 26.08 55.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -134.19 114.21 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.462 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.3 mtp -60.94 116.61 4.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.434 HD12 HE21 ' A' ' 102' ' ' GLN . 20.9 mt -80.2 122.56 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.65 122.77 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 134.57 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.2 mt -133.45 143.24 47.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.52 10.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.862 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -74.72 139.43 43.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.58 126.58 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -84.89 127.62 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 38.9 t -124.4 142.79 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.49 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -140.33 165.69 26.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 6.6 t30 74.96 54.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.5 mm? -97.02 111.36 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -53.96 127.94 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -48.43 -42.97 33.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -53.84 -28.61 36.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 m -69.71 142.93 53.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -113.56 159.4 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.0 -48.03 64.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.59 -48.84 76.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.46 -42.65 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 45' ' ' LEU . 54.8 mt -59.4 -56.93 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -39.51 -55.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -58.67 -45.16 90.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.13 -54.92 37.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 84' ' ' VAL . 71.5 m-85 -73.33 -63.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' PHE . 77.4 p -34.39 -37.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -42.41 -52.11 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -59.33 -44.38 92.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.31 -177.65 41.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.48 6.42 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 58' ' ' PHE . 87.1 mt -79.98 150.26 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.78 ' HB3' HG22 ' A' ' 85' ' ' THR . 35.1 t -96.04 -45.67 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -158.56 153.27 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD1' HG22 ' A' ' 84' ' ' VAL . 11.8 tp -132.98 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -132.47 102.05 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -108.3 93.61 11.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.689 0.756 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.71 136.9 34.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 mm -136.96 140.59 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -72.67 140.54 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 m -86.29 0.45 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.13 -50.85 3.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 p -98.9 1.38 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 3.6 mptt 46.18 26.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -129.84 146.16 60.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 142.1 46.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -70.85 -14.23 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -160.07 148.44 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.06 164.39 30.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.79 118.62 33.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.647 HG21 ' CE2' ' A' ' 58' ' ' PHE . 84.8 t -108.72 123.61 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.78 HG22 ' HB3' ' A' ' 65' ' ' SER . 96.3 m -111.1 138.73 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -108.27 152.32 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -72.05 -47.42 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -109.48 143.57 28.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 pm0 -49.15 -31.58 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -81.14 -46.39 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.29 -26.53 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.19 -49.87 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -50.49 -47.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.5 -52.75 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -53.45 -21.94 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.04 -38.47 24.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.62 -59.48 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.679 HG13 ' NE2' ' A' ' 102' ' ' GLN . 58.8 t -42.68 -59.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -45.15 108.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.51 14.57 32.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.684 ' NE2' HD12 ' A' ' 109' ' ' LEU . 12.8 pt20 -97.44 161.04 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.09 133.51 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -135.36 107.91 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 65.42 35.23 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.71 63.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -134.74 112.83 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.438 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.5 mtp -65.46 116.48 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.684 HD12 ' NE2' ' A' ' 102' ' ' GLN . 41.0 mt -87.79 121.34 30.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -104.06 113.07 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.555 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.5 t -105.98 132.39 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt -132.82 143.32 48.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.31 15.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.898 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -80.23 150.37 30.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -147.99 137.91 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 13.4 t80 -87.6 121.03 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -119.67 141.99 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -144.99 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.5 t30 71.65 54.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 mm? -104.79 111.13 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 107' ' ' ARG . 1.5 t -52.45 133.68 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.13 -25.58 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -65.21 -14.09 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -82.58 145.42 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -118.35 148.3 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.27 -42.23 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.32 -47.11 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.0 -47.58 74.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CE1' ' A' ' 69' ' ' TYR . 76.8 mt -61.45 -49.99 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -45.54 -57.78 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 11.9 mptt -57.06 -49.12 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.5 tp -46.62 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CB ' HD21 ' A' ' 64' ' ' LEU . 76.3 m-85 -59.16 -36.78 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -51.43 -39.18 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.18 -48.15 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -64.2 -30.54 71.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.76 171.62 40.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.42 6.37 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 58' ' ' PHE . 55.1 mt -77.19 125.66 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.3 p -86.52 -27.01 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -169.9 139.18 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.43 147.52 44.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -133.36 101.07 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.3 t80 -116.24 93.73 40.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 ' O ' ' A' ' 70' ' ' PRO . 19.8 mm -140.91 148.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.34 135.73 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 p -78.5 -0.34 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.89 -58.34 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -85.19 -15.04 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 61.53 29.48 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.472 ' C ' HG23 ' A' ' 71' ' ' ILE . 33.5 mttt -132.28 150.99 77.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.408 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.81 136.8 33.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.389 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -65.89 -26.74 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.63 38.13 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.527 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 9.5 p90 -162.49 146.01 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.57 167.08 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 34.6 m-85 -124.6 116.98 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.21 140.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.4 m -127.72 109.01 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.16 137.25 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.5 ttm -55.27 -48.43 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -111.82 143.88 29.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.69 -33.46 16.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.35 -48.01 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.66 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' PRO . 93.1 t -78.92 -49.82 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.47 -54.46 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.72 -51.21 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.37 -18.2 48.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.63 -31.28 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.16 -59.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.719 HG13 ' OE1' ' A' ' 102' ' ' GLN . 42.2 t -48.47 -58.98 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.34 104.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.87 22.56 8.79 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.719 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.4 pt20 -115.4 163.5 15.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -108.35 139.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.638 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.9 t80 -138.04 110.93 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 61.76 28.76 17.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.25 25.19 44.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 46' ' ' SER . 16.8 mtt-85 -134.24 123.0 23.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.598 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 4.1 tpt -68.19 105.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' PHE . 31.3 mt -70.28 124.61 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -112.83 107.28 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 t -102.37 128.47 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -127.7 141.6 41.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.25 37.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -96.07 145.73 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -144.31 126.74 15.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.15 130.51 35.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 21.7 t -129.49 141.37 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 9.8 ptp180 -140.83 169.87 16.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.2 t30 74.23 46.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.011 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -86.08 146.7 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.59 127.68 34.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -39.82 66.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -59.99 -14.03 14.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 m -83.2 146.04 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' GLU . 39.9 m -114.99 148.45 38.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -37.66 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -76.58 -47.19 23.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.8 m-20 -49.59 -44.16 46.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 45' ' ' LEU . 28.1 mt -61.41 -56.42 20.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.675 ' HG3' HD22 ' A' ' 67' ' ' LEU . 28.2 mt-10 -43.78 -52.11 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -56.79 -32.42 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.659 HD22 ' CE1' ' A' ' 104' ' ' PHE . 10.3 tp -76.3 -55.8 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.667 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 40.6 m-85 -71.88 -59.9 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 4.8 t -40.58 -41.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.45 -42.94 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -67.97 -42.32 81.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.02 177.92 42.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 118.6 5.78 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 86' ' ' PHE . 69.4 mt -80.19 129.29 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.2 t -87.75 -28.04 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -168.88 137.25 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.675 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.6 tp -121.58 144.27 48.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.887 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.7 t-80 -125.05 118.99 27.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.2 t80 -132.23 93.61 25.61 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.641 0.734 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.8 139.97 41.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.427 ' CG2' ' C ' ' A' ' 76' ' ' LYS . 6.0 mm -142.58 127.93 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.79 131.13 50.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -76.18 2.19 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.04 -55.3 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -95.08 -15.36 23.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 71' ' ' ILE . 21.1 mmtp 67.61 26.05 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -125.36 145.53 51.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.98 64.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -1.3 57.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ASN . . . 91.93 39.43 5.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -158.77 150.31 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.92 175.5 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -132.01 119.16 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.0 t -104.42 142.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m -133.57 108.82 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CE1' HD23 ' A' ' 64' ' ' LEU . 34.6 m-85 -81.94 143.97 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.1 ttm -56.85 -37.36 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.73 147.95 57.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -38.19 -44.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -71.7 -47.78 51.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 -29.72 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.27 -51.02 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.37 -42.39 73.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.36 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -65.59 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.92 -33.53 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.77 -59.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' CG2' ' A' ' 111' ' ' VAL . 85.3 t -42.78 -55.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 9.4 p-10 -50.71 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.45 24.22 7.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.596 HE22 HD11 ' A' ' 57' ' ' LEU . 10.0 pt20 -110.54 152.07 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.9 t -99.44 126.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.659 ' CE1' HD22 ' A' ' 57' ' ' LEU . 8.4 t80 -105.86 99.05 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' PHE . 3.6 pt20 48.37 26.61 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.46 29.83 5.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 8.4 mmp_? -133.15 115.46 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.506 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.7 94.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 104' ' ' PHE . 52.7 mt -74.0 123.36 24.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 15.9 m170 -106.45 103.25 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.597 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.4 t -92.93 139.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -143.95 138.0 14.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.78 130.91 20.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.39 130.04 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 92' ' ' ALA . 56.1 mt -141.36 131.82 25.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -85.84 125.2 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 t -122.74 141.3 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.84 170.51 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 108' ' ' MET . 3.3 t30 74.74 54.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.869 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -95.69 117.9 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 p -57.23 129.08 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.53 -12.91 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -89.38 0.0 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -93.63 135.81 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' GLU . 16.8 m -102.2 140.13 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' SER . 34.9 tt0 -37.13 -33.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' SER . 50.0 tt0 -66.6 -50.72 62.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 4.4 m-20 -49.98 -52.44 33.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.869 HD21 HD11 ' A' ' 45' ' ' LEU . 33.6 mt -54.88 -48.83 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' SER . 61.8 mt-10 -46.63 -54.18 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -63.53 -45.7 89.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.72 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HE2' HD22 ' A' ' 54' ' ' LEU . 85.9 m-85 -67.57 -44.07 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 25.9 t -46.73 -31.84 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.6 72.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 92.6 m-85 -74.72 -44.03 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.86 169.63 39.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 112.99 3.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt -71.88 136.31 46.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -94.37 -37.97 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -154.3 139.2 17.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.4 tp -125.25 141.24 52.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.42 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.8 t60 -125.96 104.27 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -118.98 93.67 47.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.74 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.579 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 70' ' ' PRO . 23.3 mm -141.36 125.22 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.24 136.39 56.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -81.62 0.14 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.422 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 61.9 mt -106.4 -55.12 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.414 ' C ' ' HD3' ' A' ' 76' ' ' LYS . 6.2 p -87.41 -12.25 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 60.48 31.97 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -136.45 151.04 72.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.74 167.41 24.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 0.74 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.97 37.0 7.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -162.98 153.39 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.9 166.32 24.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -119.34 120.49 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.418 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.8 t -105.29 125.31 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 m -116.42 102.36 9.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -75.63 151.28 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.37 -32.65 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -124.15 146.29 50.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -38.94 6.94 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -52.77 -42.61 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -68.58 -51.4 43.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -42.83 -41.57 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.64 -50.96 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -49.63 -60.26 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.66 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.07 -17.73 54.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.66 -25.89 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -100.47 -58.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.753 HG13 HE21 ' A' ' 102' ' ' GLN . 63.9 t -52.01 -52.26 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -49.14 87.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 114.35 28.69 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.451 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.753 HE21 HG13 ' A' ' 99' ' ' VAL . 8.6 pt20 -118.51 150.32 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -96.9 140.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.0 110.16 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 58.33 34.65 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.02 31.27 55.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -141.0 112.15 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.498 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 11.6 mtp -65.63 117.48 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 102' ' ' GLN . 38.8 mt -82.5 125.33 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -110.96 120.78 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.8 135.23 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.1 tp -130.76 138.26 32.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.62 0.724 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.3 Cg_endo -69.77 126.25 13.08 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 m . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.788 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -79.29 140.91 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 92' ' ' ALA . 32.1 mt -145.06 139.52 27.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -86.32 131.74 34.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.1 130.86 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -133.07 166.7 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 3.5 t-20 74.95 54.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.998 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -95.14 107.41 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -47.0 124.78 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.801 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.75 -29.84 41.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -67.99 -21.99 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -78.62 151.38 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' ASP . 1.8 m -112.15 172.55 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.12 -34.51 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.66 -57.25 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -46.44 -53.55 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 45' ' ' LEU . 40.4 mt -47.18 -54.86 9.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' SER . 46.8 mt-10 -46.11 -53.53 10.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 1.1 mptm? -61.74 -55.22 32.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.1 tp -39.82 -66.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.538 ' HE2' HD22 ' A' ' 54' ' ' LEU . 80.2 m-85 -65.67 -47.54 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 t -35.76 -41.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -59.57 -44.07 93.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.77 171.83 42.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 60.5 mt -68.11 129.57 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t -87.71 -35.53 17.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -161.58 148.69 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.452 HD22 ' HG2' ' A' ' 55' ' ' GLU . 14.3 tp -130.6 143.98 51.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -129.6 100.97 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.91 93.64 38.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.721 0.772 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.78 137.91 36.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 70' ' ' PRO . 14.4 mm -138.77 129.35 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.39 125.01 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -71.39 -1.72 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.3 -55.54 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 p -91.03 -3.54 57.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 51.22 34.32 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -138.08 150.95 68.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.43 45.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -89.58 -4.56 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.36 38.42 4.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 4.3 p90 -162.57 153.23 17.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.02 167.16 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -124.76 117.58 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.6 t -103.23 134.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.3 m -122.22 112.6 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 25.4 m-85 -86.34 138.44 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.409 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 23.1 ttm -51.29 -48.36 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 87' ' ' MET . 34.6 m-85 -114.97 149.82 43.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.74 -37.96 8.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.754 2.303 . . . . 0.0 112.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 10.3 pt-20 -48.67 -48.51 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 15.3 m170 -70.64 -50.49 36.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -48.56 -31.96 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 89' ' ' PRO . 83.8 t -73.85 -44.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -57.94 -41.28 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.33 86.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.41 -21.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.86 28.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -98.06 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLY . 94.6 t -47.9 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 99' ' ' VAL . 25.6 t0 -34.44 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.19 11.42 9.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.535 ' CG ' HD12 ' A' ' 109' ' ' LEU . 3.1 pt20 -94.57 165.3 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.743 HG22 ' SD ' ' A' ' 108' ' ' MET . 48.5 t -118.12 132.86 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 109' ' ' LEU . 2.9 t80 -129.95 111.32 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 60.16 40.84 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.46 73.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -130.5 111.68 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.743 ' SD ' HG22 ' A' ' 103' ' ' VAL . 44.7 mmm -61.46 124.67 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 104' ' ' PHE . 69.9 mt -97.28 122.1 39.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.421 ' CD2' ' N ' ' A' ' 110' ' ' HIS . 6.6 m170 -108.13 99.53 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 ' CG1' ' A' ' 99' ' ' VAL . 14.8 t -90.07 124.54 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.5 mm? -115.53 144.76 33.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.42 17.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.846 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' PHE . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 2.0 tmm_? -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 mt -145.4 164.58 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -117.63 117.29 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.2 146.39 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt-85 -148.07 178.27 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.15 41.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.6 mm? -87.84 130.23 34.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.99 120.61 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -45.8 -45.07 14.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.7 p -51.4 -34.6 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.5 m -64.27 151.25 44.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 m -116.33 162.98 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.63 -44.4 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.69 -38.5 75.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.05 -42.15 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 45' ' ' LEU . 63.9 mt -64.86 -53.9 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.0 mt-10 -38.61 -56.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -59.59 -55.44 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.524 HD11 HE22 ' A' ' 102' ' ' GLN . 13.7 tp -40.76 -67.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 84' ' ' VAL . 76.4 m-85 -62.94 -54.04 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 9.1 t -35.82 -44.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.22 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -59.68 -44.55 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.86 41.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.88 34.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.17 128.87 44.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -81.83 -43.06 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.0 tp10 -155.44 155.35 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 18.9 tp -136.04 144.54 45.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -138.68 108.12 6.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.442 ' HD1' ' HB2' ' A' ' 82' ' ' ALA . 2.2 t80 -125.67 93.49 44.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.79 144.18 53.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mm -139.12 128.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.39 140.9 32.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -84.23 -11.12 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.45 -54.48 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -80.71 -23.78 39.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt 68.59 30.56 5.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -139.66 153.65 70.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.13 61.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -84.02 -6.49 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.63 39.26 4.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 11.2 p90 -160.7 145.55 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -152.3 173.59 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.06 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -127.33 108.79 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 58' ' ' PHE . 30.7 t -102.8 118.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -117.06 108.37 15.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLY . 88.7 m-85 -77.25 161.16 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.83 -44.61 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -117.3 142.16 29.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.423 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.78 -22.81 31.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 16.4 pt-20 -65.2 -46.52 80.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.46 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 36.6 m170 -68.3 -44.85 74.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.47 -34.8 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' PRO . 97.0 t -65.93 -49.44 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -50.52 -45.32 56.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.54 -53.55 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.9 t80 -54.7 -22.14 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.83 -39.17 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.64 -59.96 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' NE2' ' A' ' 102' ' ' GLN . 93.3 t -44.95 -56.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.186 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -44.85 97.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.95 22.68 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.524 HE22 HD11 ' A' ' 57' ' ' LEU . 10.8 pt20 -108.82 155.0 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -101.46 134.66 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 109' ' ' LEU . 41.5 t80 -132.41 100.02 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 63.84 37.93 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.52 30.78 61.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -129.47 114.78 16.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 96.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 104' ' ' PHE . 53.1 mt -71.48 133.57 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.87 112.86 19.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.492 HG21 ' CG1' ' A' ' 99' ' ' VAL . 13.4 t -106.27 138.24 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.43 143.7 39.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.6 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' CB ' ' A' ' 39' ' ' ARG . 1.5 ttp-105 -85.14 150.28 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' O ' ' A' ' 92' ' ' ALA . 52.6 mt -141.98 146.04 35.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 35.9 t80 -95.15 122.09 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.08 142.87 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -141.97 177.91 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 108' ' ' MET . 4.2 t30 68.58 53.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.016 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -97.29 121.04 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -66.99 127.66 33.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -48.68 -35.96 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -57.79 -31.88 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 m -73.37 143.83 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -114.85 155.92 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -42.8 -47.48 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.5 -47.49 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.66 -46.79 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 45' ' ' LEU . 39.1 mt -61.9 -46.77 87.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 mt-10 -49.17 -52.68 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -63.52 -53.82 45.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.96 -63.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.1 m-85 -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.6 t -38.99 -40.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.36 -46.44 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -65.28 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.87 179.69 46.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.18 11.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.6 mt -81.64 129.49 34.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 t -81.51 -45.07 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -158.77 136.16 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 55' ' ' GLU . 14.0 tp -117.94 141.47 48.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -126.22 102.04 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -116.88 93.54 41.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.73 136.92 34.31 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.402 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.439 HG23 ' C ' ' A' ' 77' ' ' LYS . 5.7 mm -139.72 129.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.73 152.27 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 74' ' ' LEU . 9.6 t -89.41 -19.21 25.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.811 ' H ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.58 -62.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.0 p -75.92 -20.41 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 35.56 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' HG23 ' A' ' 71' ' ' ILE . 77.1 mttt -141.05 155.24 68.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.34 44.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 25.6 mttt -67.68 -22.55 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.79 34.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 42.4 p90 -159.91 151.9 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.08 176.83 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 32.3 m-85 -135.35 121.73 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.3 t -105.64 130.65 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.24 110.13 18.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -87.87 134.38 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.1 ttm -52.36 -49.0 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.45 143.99 27.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -35.5 12.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -63.7 -34.24 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 54.1 m170 -70.87 -40.73 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -60.51 -37.06 79.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.54 -50.44 56.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -51.62 -44.43 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.6 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -57.89 -17.8 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.3 -27.44 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.27 -59.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.99 HG13 ' NE2' ' A' ' 102' ' ' GLN . 62.0 t -48.1 -56.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -44.15 96.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.63 21.16 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.99 ' NE2' HG13 ' A' ' 99' ' ' VAL . 8.3 pt20 -109.24 133.26 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 108' ' ' MET . 86.5 t -84.99 138.49 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.463 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.9 t80 -138.25 111.93 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 59.79 34.15 21.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.8 28.67 56.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.36 111.79 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.6 mtp -63.07 111.06 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 104' ' ' PHE . 66.9 mt -79.92 125.86 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -107.71 139.78 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.3 t -128.44 147.41 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.5 mt -146.79 144.39 20.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 132.44 23.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.815 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -88.82 136.45 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' O ' ' A' ' 92' ' ' ALA . 30.5 mt -131.54 160.54 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -105.32 124.52 49.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 11.2 t -121.2 146.45 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 5.9 ptp180 -142.96 -176.91 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' MET . 4.2 m120 64.0 39.79 7.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 54' ' ' LEU . 6.4 mt -86.87 112.24 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 p -55.42 131.77 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.62 -24.61 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -71.31 -34.83 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 t -55.19 145.49 21.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m -115.88 150.15 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.6 -33.9 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -70.89 -58.72 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.09 -44.76 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 45' ' ' LEU . 31.3 mt -63.61 -53.9 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 67' ' ' LEU . 28.1 mt-10 -40.63 -38.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -78.89 -41.62 29.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.496 HD11 HE22 ' A' ' 102' ' ' GLN . 14.8 tp -49.47 -57.16 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 89.0 m-85 -74.57 -49.44 21.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 6.1 t -36.48 -37.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.78 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -61.12 -34.31 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.32 177.34 47.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.01 3.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 58' ' ' PHE . 62.5 mt -70.6 140.86 51.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -94.76 -41.91 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -163.6 130.23 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.6 tp -107.7 148.21 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.572 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t-80 -132.92 100.91 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.598 ' CE2' HD11 ' A' ' 71' ' ' ILE . 5.9 t80 -110.57 97.62 33.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.78 138.14 37.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 69' ' ' TYR . 10.4 mm -144.4 125.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.42 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 3.8 m-20 -58.53 133.61 55.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -79.98 -4.24 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.36 -56.25 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -89.38 -11.66 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 61.03 29.2 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -135.79 146.98 59.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.526 ' HB3' HD13 ' A' ' 71' ' ' ILE . 54.2 Cg_endo -69.75 156.46 63.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 72' ' ' ASP . 6.3 mptt -86.61 -7.61 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.14 3.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -160.29 152.49 20.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.86 178.41 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -131.0 122.8 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.6 t -109.86 124.5 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -111.44 102.67 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -77.67 157.78 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 mtp -74.64 -45.19 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -110.91 143.87 29.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.75 -27.07 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 8.6 pt-20 -61.15 -50.85 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 16.9 m170 -64.59 -41.53 96.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . 0.626 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -51.57 -33.22 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.1 t -78.14 -50.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -50.67 -43.57 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.14 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 5.3 t80 -61.84 -20.95 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.71 -36.77 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -91.35 -58.87 2.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.609 HG13 ' NE2' ' A' ' 102' ' ' GLN . 77.6 t -45.8 -61.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -43.15 94.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.01 25.18 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.609 ' NE2' HG13 ' A' ' 99' ' ' VAL . 15.8 pt20 -118.54 145.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.19 142.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.533 ' HB2' HD11 ' A' ' 109' ' ' LEU . 11.8 t80 -137.37 115.98 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 51.61 30.46 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.74 30.54 35.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -133.51 115.1 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -64.96 100.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 104' ' ' PHE . 81.6 mt -75.4 129.04 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' HIS . . . . . 0.485 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 14.0 m170 -115.7 115.22 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.513 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.1 t -104.45 144.85 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.54 151.92 48.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 133.2 25.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.9 p -125.49 152.05 45.47 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 110.904 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 t -50.99 -54.19 26.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.886 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 143.77 176.57 17.92 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.508 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -125.99 142.88 51.32 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.863 0.364 . . . . 0.0 110.857 -179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.2 p -69.87 161.01 30.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 165.98 -67.39 0.2 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.459 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 88.5 p -148.79 136.94 20.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.359 . . . . 0.0 110.87 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.7 28.89 6.11 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.52 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 31.4 ttt180 -75.09 141.69 43.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 0.0 110.837 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.0 mt -147.63 136.29 21.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 13.6 t80 -89.33 113.98 25.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 t -111.56 146.35 16.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.114 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -147.34 174.36 11.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 1.9 t30 70.67 54.7 0.27 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.519 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.9 mm? -100.29 126.06 46.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.5 t -65.25 132.67 49.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.793 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -60.23 -10.58 4.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.94 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.5 p -85.22 -9.86 57.27 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.117 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 26.0 t -82.34 150.41 27.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.885 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 51' ' ' GLU . 43.6 m -119.07 142.03 48.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.862 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 50' ' ' SER . 27.2 tt0 -34.78 -35.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.906 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 50' ' ' SER . 24.6 tt0 -71.85 -52.65 16.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.9 OUTLIER -44.4 -45.75 9.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.519 HD21 ' CD1' ' A' ' 45' ' ' LEU . 61.5 mt -63.77 -48.61 76.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.483 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.5 mt-10 -45.05 -45.69 11.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt -71.54 -42.33 68.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.691 HD11 HE22 ' A' ' 102' ' ' GLN . 17.1 tp -52.07 -51.32 58.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.878 ' CE2' HG21 ' A' ' 84' ' ' VAL . 51.4 m-85 -79.93 -51.41 9.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.842 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 14.4 t -34.97 -48.21 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.95 -54.87 1.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.115 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -56.99 -38.28 72.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 59' ' ' SER . . . 174.76 -173.69 46.27 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.455 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 133.9 26.68 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.475 HD21 ' HB3' ' A' ' 58' ' ' PHE . 54.7 mt -94.93 123.67 38.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.95 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.438 ' OG ' ' N ' ' A' ' 87' ' ' MET . 0.7 OUTLIER -69.57 -41.55 75.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.842 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -165.52 142.84 5.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 13.5 tp -117.87 141.36 48.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -128.21 104.75 7.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.858 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.47 ' CE1' HD11 ' A' ' 54' ' ' LEU . 1.8 t80 -120.52 93.58 48.43 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.661 0.743 . . . . 0.0 110.965 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.76 139.57 40.56 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.71 2.274 . . . . 0.0 112.358 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.459 HG23 ' C ' ' A' ' 77' ' ' LYS . 7.1 mm -139.61 127.8 26.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.109 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -53.19 133.38 39.35 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.891 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.4 t -76.63 -2.0 30.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.851 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.0 mt -105.69 -61.91 1.43 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.1 p -80.72 -10.85 59.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.15 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 59.9 29.76 19.32 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.459 ' C ' HG23 ' A' ' 71' ' ' ILE . 15.0 pttt -132.3 152.07 79.45 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.543 0.687 . . . . 0.0 110.914 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.446 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.3 Cg_endo -69.75 168.98 19.98 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.661 2.241 . . . . 0.0 112.298 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.402 ' HD2' ' N ' ' A' ' 79' ' ' LYS . 3.9 mptt -95.45 3.01 54.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 89.51 29.16 17.33 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.501 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.03 151.53 30.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 110.919 -179.872 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.407 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -157.43 166.06 34.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.515 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 40.6 m-85 -123.34 119.13 29.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.905 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.878 HG21 ' CE2' ' A' ' 58' ' ' PHE . 95.1 t -105.3 128.85 58.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.119 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.7 m -113.43 108.75 17.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.172 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 28.3 m-85 -86.0 143.23 28.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.438 ' N ' ' OG ' ' A' ' 65' ' ' SER . 0.3 OUTLIER -64.28 -46.95 81.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 179.944 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -112.15 146.05 34.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.677 0.751 . . . . 0.0 110.885 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -35.7 12.16 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.722 2.282 . . . . 0.0 112.317 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -49.78 -48.14 50.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -69.13 -47.57 64.73 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.848 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.51 -36.92 11.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.6 t -71.04 -48.81 53.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.102 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.0 tttt -54.6 -39.31 67.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -73.76 -41.85 61.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.104 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.421 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 6.1 t80 -64.7 -18.27 64.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.69 -32.77 15.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.151 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -94.14 -56.6 2.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 101' ' ' GLY . 88.3 t -52.68 -52.0 30.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.27 85.35 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.834 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.21 27.25 1.7 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.491 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.691 HE22 HD11 ' A' ' 57' ' ' LEU . 6.4 pt20 -113.19 167.73 10.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 0.0 110.941 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.4 t -117.71 134.68 60.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 52.6 t80 -143.82 116.65 8.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.89 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 61.69 31.84 18.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.29 32.88 59.6 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.454 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.3 mmt180 -142.84 112.62 6.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.837 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 12.4 mtp -63.03 114.56 3.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD12 ' CD ' ' A' ' 102' ' ' GLN . 66.7 mt -79.23 129.85 34.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -114.8 125.19 53.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.415 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.1 t -119.58 132.59 68.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.165 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.1 mt -132.32 148.31 69.2 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.574 0.702 . . . . 0.0 110.92 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 125.87 12.68 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.347 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 4.4 m -136.2 131.01 34.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 20.9 p -115.36 142.56 46.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.158 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 34.2 mt -55.99 100.02 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.105 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 16.3 mmmt -81.95 50.67 1.59 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 27.7 tttm -153.05 155.3 36.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.92 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 26.7 tp10 -85.93 47.05 1.39 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -85.84 -34.76 20.96 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 57.9 m -89.89 101.44 14.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' A' ' 123' ' ' SER . 20.0 pt20 -55.64 -49.15 73.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.468 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 6.0 m -160.08 164.13 33.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.807 -179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -125.22 83.76 0.35 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.47 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 170.25 17.09 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.704 2.27 . . . . 0.0 112.301 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.3 m -139.9 118.54 12.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.839 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 15.5 t -105.82 157.76 17.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.869 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 -179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.3 t -68.06 113.98 6.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.369 . . . . 0.0 110.874 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 15.6 m -43.66 140.73 1.71 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 126.85 -173.32 18.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.7 t -144.2 153.45 42.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.895 0.379 . . . . 0.0 110.852 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.1 t -107.07 -50.79 3.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.9 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -174.42 44.56 0.14 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.483 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 56.4 p -92.01 127.66 37.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -149.71 41.99 0.81 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.495 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 71.6 ttt180 -81.3 145.51 30.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.856 0.36 . . . . 0.0 110.85 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.3 mt -146.8 160.1 42.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.924 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -108.54 131.81 54.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 26.4 t -132.66 132.94 59.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.156 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.2 ptp180 -133.42 176.96 8.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.85 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.617 ' O ' HD23 ' A' ' 109' ' ' LEU . 6.2 t30 70.07 51.93 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.834 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -93.78 130.43 39.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 52.2 p -74.18 121.78 21.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -47.46 -23.66 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 42.3 p -65.9 -40.28 91.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.199 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 63.0 m -69.74 146.09 51.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.832 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.1 m -113.94 158.51 21.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -43.64 -44.63 6.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -56.39 -47.94 77.91 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -52.74 -49.92 64.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.834 HD21 HD11 ' A' ' 45' ' ' LEU . 50.2 mt -55.35 -52.01 64.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.484 ' O ' ' CB ' ' A' ' 59' ' ' SER . 42.4 mt-10 -44.54 -51.31 9.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -67.73 -46.73 71.34 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 17.2 tp -46.59 -62.48 1.36 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.888 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.666 ' CE2' HG21 ' A' ' 84' ' ' VAL . 64.5 m-85 -68.94 -48.52 63.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.484 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.9 t -38.21 -44.48 0.86 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.73 -51.67 4.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.093 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 m-85 -60.37 -45.73 92.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.891 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -172.99 -173.48 39.44 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.482 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 141.24 44.6 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.668 2.245 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.2 mt -101.7 121.67 42.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.683 ' HB3' HG22 ' A' ' 85' ' ' THR . 31.0 t -72.64 -44.14 62.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -161.28 145.02 13.01 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.425 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.3 tp -124.52 148.23 47.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.911 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -136.77 105.37 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.443 ' CE2' HD11 ' A' ' 71' ' ' ILE . 3.2 t80 -115.82 93.62 38.31 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.696 0.76 . . . . 0.0 110.919 -179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.469 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.82 137.74 35.97 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.649 HD13 ' HB3' ' A' ' 78' ' ' PRO . 8.9 mm -143.8 127.24 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.144 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.62 143.94 14.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.813 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.8 t -86.18 -11.1 53.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.816 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 31.5 mt -99.98 -56.64 2.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.7 p -82.1 -11.3 58.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt 56.34 31.48 18.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.3 mttt -137.25 148.53 62.61 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.649 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.82 163.37 38.57 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.646 2.231 . . . . 0.0 112.339 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -92.18 -1.52 57.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.931 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 93.56 36.44 5.87 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.513 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.457 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.9 p90 -156.99 152.22 26.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.885 0.374 . . . . 0.0 110.849 -179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.74 174.5 12.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -128.31 118.63 23.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.666 HG21 ' CE2' ' A' ' 58' ' ' PHE . 48.8 t -103.9 128.75 56.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.072 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.683 HG22 ' HB3' ' A' ' 65' ' ' SER . 90.7 m -120.71 118.79 30.97 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.156 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.8 m-85 -94.71 157.49 15.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.894 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -73.79 -44.19 56.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -113.34 145.7 33.79 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.663 0.744 . . . . 0.0 110.875 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.441 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.2 Cg_endo -69.74 -38.77 7.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.667 2.245 . . . . 0.0 112.38 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.546 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 12.6 pt-20 -50.44 -43.65 55.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.546 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 17.8 m170 -72.71 -45.88 56.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.44 -42.95 61.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.07 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 89' ' ' PRO . 65.4 t -65.85 -49.61 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.6 tttt -53.18 -42.9 66.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -64.57 -48.67 74.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.095 179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -58.29 -20.58 43.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.947 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.44 -37.4 21.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.056 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -93.33 -58.33 2.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.882 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.547 HG13 ' NE2' ' A' ' 102' ' ' GLN . 85.6 t -47.81 -57.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.08 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -45.88 103.12 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 104.39 15.24 21.82 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.528 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.547 ' NE2' HG13 ' A' ' 99' ' ' VAL . 13.4 pt20 -95.53 149.85 20.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 41.0 t -99.2 127.65 51.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.175 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.493 ' HB2' HD11 ' A' ' 109' ' ' LEU . 9.3 t80 -130.65 100.29 5.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 69.49 25.94 5.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.77 32.96 31.67 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.478 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.97 116.95 17.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.811 0.339 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.579 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.2 OUTLIER -66.83 99.22 0.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 44' ' ' ASN . 47.1 mt -77.56 118.15 19.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 16.1 m170 -101.39 109.74 21.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.837 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.53 HG21 HG12 ' A' ' 99' ' ' VAL . 18.7 t -98.98 115.45 39.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -104.78 144.07 27.99 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.595 0.712 . . . . 0.0 110.955 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 136.48 32.97 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.677 2.252 . . . . 0.0 112.335 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 46.5 t -142.66 143.57 32.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.588 HG22 ' H ' ' A' ' 116' ' ' ILE . 5.3 m -146.86 169.84 18.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.178 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.678 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.5 mp -35.11 108.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.142 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 56.6 mttm -100.76 59.39 0.94 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.918 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 21.9 mttm -147.25 156.24 42.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -127.04 87.3 2.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.914 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.01 150.26 18.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 26.4 p -162.69 154.84 18.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.0 tt0 -82.55 117.07 22.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.933 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 58.0 m -72.96 -40.27 65.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 74.01 144.15 0.81 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.437 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 88.51 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.645 2.23 . . . . 0.0 112.353 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 5.1 m -45.22 -59.32 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.8 m -85.96 141.94 29.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.452 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 32' ' ' SER . 17.6 m -83.56 111.3 18.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.85 0.357 . . . . 0.0 110.848 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 31' ' ' SER . 75.2 m 36.07 43.82 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.854 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.53 179.74 50.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.481 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 75.2 m -121.98 -48.08 2.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.9 0.381 . . . . 0.0 110.915 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.4 m 53.6 47.43 23.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.857 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -144.16 43.73 0.96 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 40.4 p -81.6 130.55 35.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.899 0.381 . . . . 0.0 110.87 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -172.18 41.06 0.17 Allowed Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.7 ttt180 -81.53 136.68 35.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.402 HD11 ' HB1' ' A' ' 92' ' ' ALA . 83.1 mt -140.93 144.21 35.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.932 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.5 t80 -101.91 131.78 48.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 25.7 t -133.0 143.22 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.167 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 23.0 ptt180 -144.67 171.79 13.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.627 ' O ' HD23 ' A' ' 109' ' ' LEU . 0.6 OUTLIER 74.81 49.98 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.857 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.988 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -92.56 150.84 20.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.936 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 t -83.44 115.5 22.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.848 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -42.4 -44.17 3.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 45.8 p -56.15 -36.36 68.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.132 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 53.1 m -59.36 148.66 31.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.833 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.1 m -115.55 156.7 25.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -41.79 -43.63 3.01 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -56.97 -52.52 64.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.411 ' OD2' ' CE2' ' A' ' 104' ' ' PHE . 10.3 t0 -46.14 -46.8 17.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.862 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.988 HD21 HD11 ' A' ' 45' ' ' LEU . 28.8 mt -61.29 -51.11 70.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.509 ' HG3' HD22 ' A' ' 67' ' ' LEU . 33.8 mt-10 -49.13 -55.98 10.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.0 mtpt -57.7 -48.87 78.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.606 HD21 HE22 ' A' ' 102' ' ' GLN . 21.2 tp -48.44 -64.96 0.65 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.91 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.531 ' HE1' HG11 ' A' ' 99' ' ' VAL . 62.8 m-85 -66.5 -58.71 4.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.881 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 42.9 t -34.79 -44.42 0.22 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -39.82 -49.52 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.078 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 m-85 -62.19 -46.24 89.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.93 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -167.33 176.8 42.09 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 128.23 15.79 Favored 'Trans proline' 0 C--O 1.232 0.222 0 C-N-CA 122.671 2.248 . . . . 0.0 112.393 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 36.2 mt -89.1 163.43 15.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 25.8 p -111.92 -49.15 3.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.3 tp10 -151.21 144.81 24.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.862 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.586 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -123.12 148.8 45.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.441 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 41.8 t-80 -132.57 101.96 5.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.407 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.7 t80 -116.25 94.23 41.69 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.644 0.735 . . . . 0.0 110.898 -179.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.548 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.67 147.66 63.96 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.703 2.269 . . . . 0.0 112.345 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.3 mm -143.66 142.12 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.4 146.89 50.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.3 m -85.37 -8.83 58.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.814 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.7 mt -106.56 -54.87 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 10.7 p -83.53 -8.4 59.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 51.67 30.67 6.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -136.8 155.39 76.56 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.514 0.674 . . . . 0.0 110.918 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 149.38 66.93 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.96 -20.26 46.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.907 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 114.63 43.69 0.74 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.548 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.7 p90 -163.0 148.4 11.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.816 0.341 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.441 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -161.44 164.94 29.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -123.93 115.16 20.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.829 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.586 HG22 HD12 ' A' ' 67' ' ' LEU . 93.8 t -105.33 135.34 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.141 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 21.3 m -124.18 104.42 8.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.108 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 27.2 m-85 -71.55 154.73 41.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.1 mmt -64.93 -48.82 72.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.429 ' CD2' ' CE1' ' A' ' 91' ' ' HIS . 81.8 m-85 -110.38 147.53 36.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.692 0.758 . . . . 0.0 110.855 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -38.44 7.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.716 2.277 . . . . 0.0 112.34 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -59.72 -25.06 64.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.429 ' CE1' ' CD2' ' A' ' 88' ' ' PHE . 39.2 m170 -82.3 -44.9 15.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.402 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -51.73 -38.18 54.17 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.063 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.12 -58.72 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -45.34 -43.22 10.7 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.06 -48.97 40.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.054 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.538 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 1.4 t80 -54.5 -22.68 13.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 -179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.21 -41.9 19.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -84.57 -58.33 2.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.599 HG13 ' NE2' ' A' ' 102' ' ' GLN . 57.6 t -44.07 -55.18 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -45.73 100.5 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 98.08 29.88 7.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.506 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.606 HE22 HD21 ' A' ' 57' ' ' LEU . 11.7 pt20 -104.72 146.16 29.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.804 0.335 . . . . 0.0 110.931 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 93.8 t -97.09 130.62 45.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.138 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.411 ' CE2' ' OD2' ' A' ' 53' ' ' ASP . 8.1 t80 -133.72 106.15 7.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 61.78 27.6 16.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.54 30.54 26.94 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.498 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.429 ' HD3' ' ND2' ' A' ' 44' ' ' ASN . 2.9 mmp_? -132.4 113.02 12.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.813 0.339 . . . . 0.0 110.898 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 5.2 tpt -68.83 95.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.627 HD23 ' O ' ' A' ' 44' ' ' ASN . 34.8 mt -70.62 138.24 50.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.9 m170 -117.35 130.26 56.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.501 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.0 t -121.0 133.55 67.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.7 mt -135.8 143.62 45.34 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.628 0.727 . . . . 0.0 110.902 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 127.62 14.85 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.681 2.254 . . . . 0.0 112.362 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.1 t -118.65 147.98 43.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 72.3 p -136.27 164.14 28.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.111 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 33.9 mt -81.66 121.34 34.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -88.37 149.58 23.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.929 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.3 mttt -132.98 112.23 11.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.926 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -114.66 112.21 22.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -164.21 157.29 17.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.06 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.8 t -117.71 88.56 2.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -111.06 137.64 48.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.928 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 97.1 p -151.94 142.76 22.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -79.24 145.7 28.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.504 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -43.19 2.78 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 37.8 t -136.04 152.95 51.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -93.32 122.4 35.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.502 -179.967 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.6 t -111.75 125.72 54.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.883 0.373 . . . . 0.0 110.872 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 33.9 p -85.53 147.59 26.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.85 -137.6 13.36 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.518 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 47.7 m -85.77 115.39 23.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.85 0.357 . . . . 0.0 110.869 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 m -124.43 130.9 53.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.898 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 154.38 69.55 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.533 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.3 m -106.37 104.95 14.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.385 . . . . 0.0 110.843 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.58 33.02 6.71 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.515 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.8 ttt180 -92.69 135.83 33.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.864 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 92.4 mt -137.84 136.51 37.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 15.1 t80 -95.09 129.56 42.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.5 t -130.62 132.98 64.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -132.38 175.47 9.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 71.98 47.26 0.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.528 HD11 HD21 ' A' ' 54' ' ' LEU . 3.3 mm? -85.26 141.87 29.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.444 ' CB ' ' HG3' ' A' ' 107' ' ' ARG . 1.1 t -81.33 130.43 35.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -62.02 -19.25 62.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.979 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 27.7 p -81.92 -11.76 58.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.3 m -83.18 154.97 24.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.851 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.6 m -119.27 154.26 33.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.7 tt0 -50.83 -38.01 46.34 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.924 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -61.4 -43.11 99.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.868 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.94 -44.3 94.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.834 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.528 HD21 HD11 ' A' ' 45' ' ' LEU . 15.5 mt -58.65 -52.47 65.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.898 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' O ' ' CB ' ' A' ' 59' ' ' SER . 48.4 mt-10 -45.66 -56.51 5.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.904 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 8.7 mptt -60.16 -51.95 67.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 tp -40.36 -68.06 0.2 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.55 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.5 m-85 -65.24 -48.82 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.427 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 28.3 t -38.45 -46.83 1.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 -179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -42.02 -44.72 3.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.126 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -65.26 -46.43 80.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.72 177.45 42.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 113.47 3.38 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.68 2.253 . . . . 0.0 112.361 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 64.3 mt -70.78 140.61 51.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.881 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 34.2 t -94.82 -32.45 13.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.819 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -170.06 143.87 2.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.656 HD12 HG22 ' A' ' 84' ' ' VAL . 13.7 tp -123.62 146.68 48.0 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.902 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -133.83 101.26 5.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.891 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -114.67 93.61 33.77 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.677 0.751 . . . . 0.0 110.907 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.9 Cg_endo -69.73 142.21 47.48 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.731 2.287 . . . . 0.0 112.333 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.486 HD13 ' HB3' ' A' ' 78' ' ' PRO . 15.1 mm -143.37 131.26 18.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -58.72 147.84 31.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 73.8 m -91.14 -6.43 53.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.866 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.2 mt -106.13 -48.61 3.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 8.8 p -91.34 -9.31 45.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.118 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.499 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.3 OUTLIER 53.07 25.08 3.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 179.893 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -129.27 147.03 63.34 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.526 0.679 . . . . 0.0 110.915 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.486 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.6 Cg_endo -69.81 148.02 63.82 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.648 2.232 . . . . 0.0 112.336 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 -4.18 38.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 92.18 41.22 4.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 1.6 p90 -159.63 152.66 21.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.36 . . . . 0.0 110.913 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.85 172.62 14.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.51 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 22.4 m-85 -135.95 117.3 14.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.656 HG22 HD12 ' A' ' 67' ' ' LEU . 60.7 t -107.07 140.12 26.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.094 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 58.6 m -124.71 106.05 9.78 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.105 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.8 m-85 -73.8 150.46 41.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 11.2 mtp -68.11 -42.08 80.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -111.99 144.05 29.95 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.665 0.745 . . . . 0.0 110.858 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -43.57 2.54 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.706 2.27 . . . . 0.0 112.333 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.616 ' CD ' ' CD2' ' A' ' 91' ' ' HIS . 0.2 OUTLIER -55.45 -25.14 34.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.901 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.616 ' CD2' ' CD ' ' A' ' 90' ' ' GLU . 54.9 m170 -85.36 -29.42 24.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.85 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.43 -34.91 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 38.6 t -64.6 -54.2 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 22.3 ttpt -53.07 -39.0 63.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.6 -46.44 72.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.094 179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.531 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.0 t80 -69.57 -20.24 63.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.882 -179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.14 -25.01 22.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.102 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -100.84 -57.09 2.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.872 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.476 HG13 ' NE2' ' A' ' 102' ' ' GLN . 86.0 t -51.27 -55.94 6.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.11 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.447 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 10.9 p-10 -44.25 96.69 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.86 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.9 31.41 3.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.496 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.476 ' NE2' HG13 ' A' ' 99' ' ' VAL . 9.5 pt20 -118.79 136.23 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 78.4 t -85.75 124.23 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.107 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.635 ' CB ' HD11 ' A' ' 109' ' ' LEU . 69.9 t80 -124.65 103.96 8.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.849 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 64.17 30.45 13.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.933 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.1 26.52 57.79 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.48 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' CB ' ' A' ' 46' ' ' SER . 6.2 mmt180 -128.38 115.71 18.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 110.925 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -63.9 98.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.635 HD11 ' CB ' ' A' ' 104' ' ' PHE . 84.9 mt -73.68 123.39 23.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -109.39 125.29 52.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 25.4 t -116.81 136.19 54.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.591 HD12 ' HD2' ' A' ' 113' ' ' PRO . 14.2 tp -134.59 138.59 30.31 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.631 0.729 . . . . 0.0 110.916 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.591 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.7 Cg_endo -69.75 126.19 13.03 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.312 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.7 t -126.15 115.4 19.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.859 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 25.9 p -130.1 170.06 14.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 42.9 mt -91.9 121.5 42.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -90.43 90.93 8.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.877 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.9 tppt? -149.87 142.0 24.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.861 179.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 43.54 44.33 5.08 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -96.18 -45.27 6.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.074 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -79.92 169.01 18.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.826 -179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -163.05 144.3 9.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 125' ' ' PRO . 54.5 p -165.04 159.54 18.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.834 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . 0.427 ' C ' ' O ' ' A' ' 123' ' ' SER . . . 33.97 -96.31 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.522 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.433 ' N ' ' O ' ' A' ' 123' ' ' SER . 53.9 Cg_endo -69.8 173.12 11.48 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.316 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.9 t -164.59 162.27 21.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 43.9 t -130.54 -45.13 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.853 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.439 179.96 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -52.89 116.74 2.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.887 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 96.9 p -84.28 166.6 17.34 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.821 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.58 81.33 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.444 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 32.1 m -110.88 94.79 5.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.858 0.361 . . . . 0.0 110.841 -179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.1 m -117.88 160.89 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 174.61 -53.82 0.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 52.1 p -109.66 127.04 54.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.965 0.412 . . . . 0.0 110.841 -179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.63 43.48 1.68 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.513 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 66.5 ttt180 -78.99 135.15 36.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.362 . . . . 0.0 110.845 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 92' ' ' ALA . 28.3 mt -133.66 145.32 49.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -94.41 131.55 39.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 t -133.33 147.17 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.121 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.4 ptt85 -148.95 179.66 7.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.8 t30 65.3 52.82 1.38 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.401 ' HA ' HD13 ' A' ' 45' ' ' LEU . 1.8 mm? -99.86 118.02 35.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -51.27 126.04 15.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.837 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -55.07 -29.19 57.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.878 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 26.8 p -64.71 -17.68 64.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.146 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.1 m -85.11 152.99 22.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -121.55 163.04 19.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -46.93 -33.2 4.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -63.88 -60.0 3.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -43.87 -49.19 8.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.821 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD11 ' CE1' ' A' ' 69' ' ' TYR . 59.5 mt -54.66 -63.81 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.489 ' O ' ' CB ' ' A' ' 59' ' ' SER . 84.4 mt-10 -36.57 -54.52 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.922 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -59.46 -56.89 16.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.863 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.614 HD11 HE22 ' A' ' 102' ' ' GLN . 14.1 tp -38.24 -66.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 59' ' ' SER . 71.9 m-85 -66.05 -58.08 6.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 29.7 t -35.54 -35.5 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.839 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -49.09 -49.41 41.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.04 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -61.36 -39.46 90.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.44 179.51 45.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.481 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 127.5 14.71 Favored 'Trans proline' 0 C--O 1.232 0.217 0 C-N-CA 122.68 2.254 . . . . 0.0 112.358 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -86.31 165.67 16.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.914 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.2 p -117.89 -42.52 2.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.852 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.428 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.9 tt0 -157.48 145.94 19.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.464 HD22 ' HG3' ' A' ' 55' ' ' GLU . 20.4 tp -127.93 147.14 50.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.584 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 31.0 t-80 -132.42 104.5 6.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.83 179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.543 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -117.25 93.5 42.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.64 0.733 . . . . 0.0 110.909 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.522 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -69.75 140.66 43.26 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.344 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.509 HD13 ' O ' ' A' ' 70' ' ' PRO . 25.3 mm -138.7 127.13 29.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.108 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -59.5 128.58 37.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 65.0 m -76.52 2.68 13.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 68.9 mt -104.9 -56.19 2.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.1 p -90.27 -13.55 35.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.134 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.1 mmtt 64.78 29.61 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.2 mttt -138.67 147.92 56.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.637 0.732 . . . . 0.0 110.873 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.503 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.5 Cg_endo -69.72 136.58 33.46 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.682 2.255 . . . . 0.0 112.38 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -65.87 -30.1 70.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 125.2 46.41 0.23 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.463 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.522 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 8.1 p90 -163.03 147.18 11.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.866 0.365 . . . . 0.0 110.881 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.45 157.52 22.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.112 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -111.15 118.54 36.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.5 t -104.33 129.46 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -117.35 109.05 16.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.135 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -80.73 149.75 29.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.595 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -64.42 -48.82 73.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.886 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -111.37 149.43 40.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.695 0.76 . . . . 0.0 110.864 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -45.91 1.43 Allowed 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.666 2.244 . . . . 0.0 112.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.489 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 17.1 pt-20 -48.29 -46.28 35.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.489 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 19.2 m170 -65.54 -44.67 86.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.427 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -52.55 -17.67 1.37 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 78.3 t -81.93 -46.35 19.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.123 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 20.7 tptt -59.33 -50.98 71.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -54.91 -41.24 70.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.079 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -71.58 -20.1 62.05 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -87.09 -27.9 22.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.051 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 33.6 mm-40 -100.36 -54.52 2.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 87.1 t -51.74 -55.06 10.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.111 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -55.07 82.62 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 127.03 22.69 1.53 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.496 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.614 HE22 HD11 ' A' ' 57' ' ' LEU . 7.3 pt20 -115.73 159.15 21.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.805 0.336 . . . . 0.0 110.922 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 71.6 t -109.13 134.84 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.438 ' HB2' HD11 ' A' ' 109' ' ' LEU . 19.6 t80 -127.86 120.02 26.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.871 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 79.7 mt-30 45.36 36.28 2.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.918 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 79.71 31.12 41.36 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.517 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 18.2 mmt180 -139.94 111.65 7.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.762 0.315 . . . . 0.0 110.87 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 10.5 mtp -63.18 118.1 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.438 HD11 ' HB2' ' A' ' 104' ' ' PHE . 72.4 mt -86.09 125.76 33.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -110.93 130.43 55.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.433 ' CG2' HG12 ' A' ' 99' ' ' VAL . 8.5 t -126.84 130.4 71.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.126 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.3 mt -127.81 143.94 49.5 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.577 0.703 . . . . 0.0 110.874 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 132.3 22.99 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.675 2.25 . . . . 0.0 112.35 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.6 t -135.43 115.27 12.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.7 p -119.72 162.47 18.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.143 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.618 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.2 mp -81.51 98.16 4.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 41.4 mmtt -88.96 67.96 8.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.91 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.66 168.37 18.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.878 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.435 ' CD ' ' O ' ' A' ' 119' ' ' GLU . 2.7 pp20? -108.22 116.68 32.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.866 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -162.99 142.13 8.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.055 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 88.7 p -89.18 131.64 35.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -135.28 106.84 6.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.955 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 43.1 t -149.16 145.34 27.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.857 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 163.64 83.14 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 -36.43 10.64 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.649 2.232 . . . . 0.0 112.324 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 52.0 p -55.12 112.76 1.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.3 t -114.09 83.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.511 -179.941 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.2 t -118.26 170.77 8.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 51.6 p -129.22 137.51 51.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.899 -179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 97.4 -45.08 1.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.3 t -120.39 93.08 3.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.854 0.359 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 69.2 m -132.08 144.88 51.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.45 66.48 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 62.6 p -96.36 -177.67 4.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.909 -179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 163.3 -25.0 0.2 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.477 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 64.8 ttt180 -76.62 129.17 36.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.361 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 76.5 mt -126.12 139.67 53.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.2 t80 -90.43 116.11 28.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.0 t -123.22 131.5 73.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.111 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 4.1 ptm180 -132.77 175.41 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.443 ' O ' HD23 ' A' ' 109' ' ' LEU . 1.9 t30 74.8 55.03 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.852 HD11 HD21 ' A' ' 54' ' ' LEU . 4.6 mm? -99.23 122.55 42.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -61.46 126.9 29.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -51.79 -27.05 11.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.93 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.6 p -71.38 -28.22 63.89 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.149 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.0 m -67.35 152.57 45.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.878 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.9 m -120.78 166.21 14.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 15.3 tt0 -54.81 -48.35 72.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -53.08 -51.08 62.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -46.61 -55.69 7.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 45' ' ' LEU . 38.7 mt -52.27 -53.45 43.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.923 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.45 ' O ' ' CB ' ' A' ' 59' ' ' SER . 49.1 mt-10 -41.78 -53.86 3.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -62.55 -59.06 5.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.915 179.918 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 56' ' ' LYS . 13.7 tp -36.37 -68.52 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.666 ' HE2' HD22 ' A' ' 54' ' ' LEU . 86.1 m-85 -61.62 -49.81 75.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.45 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.9 t -39.06 -41.24 0.77 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.871 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.33 -46.19 55.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.079 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.52 -39.0 91.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.93 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 178.5 -172.14 44.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.43 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.467 ' HB2' ' CE ' ' A' ' 87' ' ' MET . 54.4 Cg_endo -69.68 151.67 69.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.731 2.287 . . . . 0.0 112.374 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 79.7 mt -115.35 124.21 50.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.882 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.3 t -74.03 -37.46 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -170.14 144.23 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.91 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.68 HD12 HG22 ' A' ' 84' ' ' VAL . 14.3 tp -120.68 142.65 49.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.44 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 35.1 t-80 -131.55 111.1 11.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -122.79 93.91 47.95 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.62 0.724 . . . . 0.0 110.884 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 142.77 48.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.323 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.425 HD12 ' HD3' ' A' ' 78' ' ' PRO . 11.9 mm -143.96 129.04 14.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.162 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.426 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 4.7 m-20 -54.84 145.33 20.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 80.1 p -88.6 -13.38 40.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 28.0 mt -99.68 -51.99 3.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.938 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.9 p -82.08 -25.09 34.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 21.9 mmtm 69.43 35.52 2.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.884 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 9.2 ptpt -145.55 154.67 52.84 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.593 0.711 . . . . 0.0 110.924 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.425 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.75 152.75 69.42 Favored 'Trans proline' 0 N--CA 1.465 -0.177 0 C-N-CA 122.721 2.281 . . . . 0.0 112.389 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 8.9 mptt -79.39 -13.7 59.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.884 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.22 31.32 3.58 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.509 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 2.6 p90 -157.59 157.08 33.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.841 0.353 . . . . 0.0 110.884 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.44 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.89 176.25 11.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -132.36 112.99 12.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.85 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.68 HG22 HD12 ' A' ' 67' ' ' LEU . 88.9 t -108.15 126.52 64.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.129 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.33 136.0 53.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.585 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 30.2 m-85 -110.45 146.11 36.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.467 ' CE ' ' HB2' ' A' ' 63' ' ' PRO . 10.9 mtm -66.66 -45.61 78.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.884 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.0 m-85 -106.56 141.52 22.98 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.61 0.719 . . . . 0.0 110.936 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.511 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.74 -44.36 2.14 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.667 2.245 . . . . 0.0 112.358 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.455 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.0 pt-20 -46.28 -49.28 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.455 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 18.0 m170 -68.93 -44.57 72.81 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.858 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.585 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -55.21 -27.62 47.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 89' ' ' PRO . 98.2 t -77.76 -54.21 12.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 17.8 tttp -47.78 -42.98 27.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.404 ' O ' HG23 ' A' ' 99' ' ' VAL . . . -68.2 -42.91 79.18 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.102 179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.425 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 3.3 t80 -65.68 -23.08 66.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.941 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -81.82 -31.72 31.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -96.48 -58.93 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.548 HG12 ' CG2' ' A' ' 111' ' ' VAL . 94.0 t -44.47 -48.35 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -54.72 96.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 106.39 30.24 4.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.481 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.573 HE21 HD12 ' A' ' 109' ' ' LEU . 12.5 pt20 -115.31 155.87 26.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.882 0.372 . . . . 0.0 110.914 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 91.7 t -102.67 134.71 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.105 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.487 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.8 t80 -132.67 100.27 4.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.857 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 62.2 mt-30 62.34 45.16 6.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.921 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 71.09 25.4 75.75 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.493 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 17.3 mmt180 -135.5 111.66 9.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.847 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.441 ' O ' ' CG ' ' A' ' 44' ' ' ASN . 9.0 mtp -67.21 116.55 8.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.573 HD12 HE21 ' A' ' 102' ' ' GLN . 55.7 mt -85.92 123.81 31.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -106.51 117.99 35.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.548 ' CG2' HG12 ' A' ' 99' ' ' VAL . 13.8 t -108.47 137.65 39.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.152 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.563 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -135.82 138.01 26.87 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.625 0.726 . . . . 0.0 110.878 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.563 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.5 Cg_endo -69.77 130.83 20.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.352 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 47.3 t -98.75 147.17 25.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 34.0 p -123.72 142.8 50.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.106 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 49.8 mm -39.69 104.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.0 ttmm -61.23 93.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 12.6 tptt -151.75 132.82 14.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -100.48 118.15 36.09 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.51 110.37 1.99 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.098 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 71.0 m -124.62 116.57 22.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.844 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -174.85 155.03 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 79.0 p -84.19 -50.07 8.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.851 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 96.15 75.58 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.429 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 143.57 51.23 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.722 2.282 . . . . 0.0 112.372 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 27.2 m -157.76 141.47 15.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.854 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 5.6 t -153.33 115.33 4.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.812 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.441 179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.4 p -142.0 145.7 34.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.94 0.4 . . . . 0.0 110.823 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 6.2 t -45.73 -46.59 15.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -39.11 148.22 0.12 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 93.5 p -97.57 141.85 30.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.0 t -65.01 83.07 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.99 39.44 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 16.0 m -119.17 115.85 25.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.908 0.385 . . . . 0.0 110.82 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -158.58 39.98 0.51 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.51 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -74.72 132.63 41.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.823 0.344 . . . . 0.0 110.854 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 43.9 mt -139.25 132.04 29.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.945 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 21.7 t80 -91.34 126.93 36.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.9 t -130.29 144.68 37.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.442 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 22.6 ptt180 -140.92 175.47 9.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.431 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.8 t30 72.45 50.92 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.832 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.883 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -92.28 134.68 34.67 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.0 p -72.72 129.11 37.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.823 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.86 -31.57 50.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.872 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -68.12 -22.14 64.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 31.4 t -72.12 150.79 43.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -123.63 159.61 28.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.563 ' HG2' HD23 ' A' ' 67' ' ' LEU . 19.9 tt0 -47.11 -32.63 4.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -69.91 -60.69 2.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.929 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -42.42 -48.19 5.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.883 HD21 HD11 ' A' ' 45' ' ' LEU . 49.1 mt -62.11 -56.98 13.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.581 ' HG3' HD22 ' A' ' 67' ' ' LEU . 18.2 mt-10 -38.61 -55.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 3.6 mptp? -59.66 -57.66 11.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 56' ' ' LYS . 30.8 tp -36.07 -64.93 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' HE2' HD22 ' A' ' 54' ' ' LEU . 94.5 m-85 -66.43 -52.69 43.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 58' ' ' PHE . 3.3 t -36.98 -46.06 0.62 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 -179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.22 -50.46 2.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.143 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -60.43 -40.46 91.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.944 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.69 -179.9 45.58 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.47 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 129.97 18.46 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.629 2.219 . . . . 0.0 112.347 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 92.7 mt -88.94 133.37 34.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.4 t -86.04 -35.58 20.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -170.56 139.48 1.61 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.898 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.581 HD22 ' HG3' ' A' ' 55' ' ' GLU . 16.3 tp -117.65 144.72 44.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -129.12 101.1 5.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.417 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.5 t80 -114.43 93.57 32.5 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.63 0.728 . . . . 0.0 110.916 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 139.11 39.31 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.648 2.232 . . . . 0.0 112.294 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.493 HD12 ' HD3' ' A' ' 78' ' ' PRO . 13.6 mm -136.83 140.82 42.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.107 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -66.58 143.31 57.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 38.1 t -84.12 -7.9 59.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.7 mt -106.72 -59.76 1.76 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 18.1 p -76.08 -17.16 59.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp 61.46 32.37 18.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.931 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -142.66 151.24 56.58 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.538 0.685 . . . . 0.0 110.925 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.493 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.4 Cg_endo -69.77 140.53 42.84 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.65 2.234 . . . . 0.0 112.392 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.1 mttt -67.23 -16.49 64.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 111.8 43.35 0.96 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.487 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -161.78 149.21 14.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -160.36 171.33 19.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.148 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 20.8 m-85 -129.44 118.91 22.9 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.851 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.42 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.1 t -104.93 119.83 54.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.168 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.6 m -110.65 117.01 32.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.145 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -89.39 161.42 16.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.0 mtt -76.98 -43.1 36.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -114.99 149.26 42.2 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.679 0.752 . . . . 0.0 110.843 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -44.83 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.664 2.243 . . . . 0.0 112.372 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.556 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 9.4 pt-20 -44.18 -51.51 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.556 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 14.3 m170 -67.5 -42.86 82.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -54.19 -23.23 13.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 90.1 t -84.78 -46.46 17.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 24.0 tttp -54.58 -47.23 73.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.873 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -62.19 -51.09 69.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.422 ' CE1' ' HD3' ' A' ' 113' ' ' PRO . 5.5 t80 -56.34 -20.44 19.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.6 -33.02 20.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.105 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -93.68 -59.77 1.92 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.486 HG13 ' OE1' ' A' ' 102' ' ' GLN . 46.6 t -47.35 -56.5 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.133 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -48.68 92.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.862 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 113.32 21.07 5.99 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.472 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.486 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.6 pt20 -111.62 146.15 37.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.832 0.349 . . . . 0.0 110.93 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.0 t -94.86 126.48 47.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.115 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.409 ' CB ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -123.47 96.42 4.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.884 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.8 mt-30 72.16 28.46 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.953 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 82.59 23.16 56.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.505 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.8 mmt180 -122.87 116.52 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.799 0.333 . . . . 0.0 110.844 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.448 ' HE2' ' HA ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -68.17 94.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 44' ' ' ASN . 78.4 mt -70.41 135.73 48.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.442 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 12.8 m170 -120.01 112.22 18.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 13.4 t -107.17 128.38 62.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.138 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.53 HD12 ' HD2' ' A' ' 113' ' ' PRO . 10.9 tp -126.4 138.48 32.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.717 . . . . 0.0 110.91 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.53 ' HD2' HD12 ' A' ' 112' ' ' LEU . 54.1 Cg_endo -69.77 138.62 38.22 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.7 2.267 . . . . 0.0 112.344 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 35.2 t -139.71 129.37 24.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.869 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.1 p -129.72 175.56 8.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.4 HD12 ' H ' ' A' ' 116' ' ' ILE . 5.4 mp -85.66 104.03 13.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.112 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -77.12 94.6 4.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.3 ttmm -87.43 144.3 26.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.9 tm-20 -106.66 100.77 10.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.935 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -159.51 136.31 9.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 66.3 p -84.65 88.2 7.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.871 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.2 tp60 -172.86 120.07 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.93 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 15.2 t -64.37 -42.58 96.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.89 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 83.38 64.6 1.63 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 101.92 0.97 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.684 2.256 . . . . 0.0 112.298 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 1.9 t -135.85 139.15 43.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 34.6 m -140.98 134.83 30.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.453 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.538 -0.225 . . . . 0.0 112.538 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m 60.1 41.66 16.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.92 0.39 . . . . 0.0 110.891 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 19.8 t -173.03 122.3 0.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.56 -101.62 2.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.9 m 51.78 45.99 27.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.92 0.391 . . . . 0.0 110.85 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -135.27 161.05 36.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.805 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -166.14 -45.91 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.769 ' OG ' HD11 ' A' ' 116' ' ' ILE . 61.6 p -109.72 126.54 53.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.908 0.385 . . . . 0.0 110.863 -179.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -86.62 45.25 3.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.486 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -79.15 145.27 33.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.84 0.352 . . . . 0.0 110.886 -179.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 HD11 ' HB1' ' A' ' 92' ' ' ALA . 41.9 mt -138.39 151.05 47.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.935 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.439 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 18.1 t80 -105.46 109.71 21.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.923 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 27.3 t -111.86 131.97 61.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.16 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 0.9 OUTLIER -133.61 173.45 11.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 3.4 t30 72.68 52.9 0.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.876 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -96.87 138.75 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.9 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 5.0 p -79.79 124.7 28.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -47.11 -40.72 16.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.917 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 p -53.37 -31.93 46.97 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 73.4 m -68.57 144.47 54.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.876 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.44 ' O ' ' C ' ' A' ' 51' ' ' GLU . 21.6 m -112.12 147.34 36.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.857 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' SER . 37.0 tt0 -34.57 -36.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' A' ' 50' ' ' SER . 40.0 tt0 -65.13 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.893 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' C ' ' O ' ' A' ' 52' ' ' GLU . 11.2 t0 -35.06 -38.01 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.876 HD21 HD11 ' A' ' 45' ' ' LEU . 20.8 mt -64.82 -55.4 19.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.887 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.701 ' HG3' HD22 ' A' ' 67' ' ' LEU . 23.6 mt-10 -54.04 -46.46 71.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 2.3 mmmm -63.66 -27.98 69.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.7 tp -75.03 -60.15 2.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.973 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.818 ' CE2' HG21 ' A' ' 84' ' ' VAL . 49.8 m-85 -65.89 -52.09 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 38.9 t -41.04 -29.56 0.11 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.49 -45.27 85.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.151 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.5 m-85 -67.24 -21.19 65.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 162.54 -173.81 38.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.483 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 145.88 58.87 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.671 2.247 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.1 mt -104.19 163.87 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 t -115.41 -45.7 2.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -158.52 147.42 18.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.701 HD22 ' HG3' ' A' ' 55' ' ' GLU . 12.3 tp -125.38 142.41 51.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.545 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 8.9 t-80 -130.72 100.98 5.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.815 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -113.31 93.98 29.04 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.718 0.771 . . . . 0.0 110.901 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.545 ' HD3' ' CE1' ' A' ' 68' ' ' HIS . 53.8 Cg_endo -69.76 137.48 35.57 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.693 2.262 . . . . 0.0 112.361 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 7.1 mm -140.58 132.26 30.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.092 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -57.7 147.52 27.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.826 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 91.5 p -84.63 -16.19 42.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.842 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 mt -97.69 -59.68 1.72 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 25.0 p -75.18 -17.2 60.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.12 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm 59.15 28.05 17.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -133.69 155.64 80.26 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.553 0.692 . . . . 0.0 110.886 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.86 162.54 41.72 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.231 . . . . 0.0 112.342 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.517 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -89.82 -13.34 36.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.886 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.43 33.38 2.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.537 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.517 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 4.2 p90 -162.94 158.49 22.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.898 0.38 . . . . 0.0 110.838 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.84 175.59 11.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.095 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.439 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 56.7 m-85 -128.74 120.33 26.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.818 HG21 ' CE2' ' A' ' 58' ' ' PHE . 39.1 t -111.67 129.09 67.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 48.3 m -116.55 104.03 11.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.129 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.418 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 49.0 m-85 -71.71 160.77 32.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.583 ' HE2' ' HA ' ' A' ' 87' ' ' MET . 2.1 mmt -69.33 -48.39 61.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.863 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -110.24 147.98 37.41 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.61 0.719 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.8 Cg_endo -69.69 -33.58 16.55 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.408 ' CG ' ' N ' ' A' ' 91' ' ' HIS . 18.1 pt-20 -61.14 -47.04 88.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.911 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.408 ' N ' ' CG ' ' A' ' 90' ' ' GLU . 27.0 m170 -63.09 -48.31 79.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.822 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.508 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -50.36 -35.1 26.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.086 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.562 HG23 ' O ' ' A' ' 89' ' ' PRO . 96.3 t -67.56 -48.67 75.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.115 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 30.8 tttp -51.44 -50.68 59.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.906 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.6 -49.7 76.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.084 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.526 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -60.65 -19.96 59.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.967 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.23 -35.08 20.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.077 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -95.01 -58.84 2.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.495 ' O ' ' N ' ' A' ' 101' ' ' GLY . 59.8 t -47.59 -52.26 6.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.122 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.8 t0 -48.63 88.24 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 122.09 23.42 2.45 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.48 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -113.76 153.51 28.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 49.6 t -96.8 141.0 16.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.467 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.4 t80 -133.76 108.51 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 52.77 28.62 6.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.911 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 88.21 32.26 12.57 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.3 mmt85 -136.5 123.12 20.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.862 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.445 ' HA ' ' CE ' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.23 97.85 2.06 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.467 HD11 ' HB2' ' A' ' 104' ' ' PHE . 99.0 mt -67.54 124.14 22.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.911 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.477 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 9.3 m170 -109.06 111.2 22.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.844 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.6 t -101.91 138.25 26.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.122 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 12.5 tp -142.05 135.1 14.08 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.64 0.733 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.412 ' HD3' ' CE1' ' A' ' 96' ' ' TYR . 54.1 Cg_endo -69.7 131.05 20.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.732 2.288 . . . . 0.0 112.356 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 6.7 t -127.92 130.87 49.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.856 -179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -115.53 -179.12 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.185 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.769 HD11 ' OG ' ' A' ' 37' ' ' SER . 4.0 mp -89.59 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.13 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -72.03 91.14 1.21 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.913 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 34.0 ttpt -103.29 162.65 12.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.879 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -129.98 120.19 24.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -163.97 113.98 1.27 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.095 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 80.5 p -90.64 100.67 13.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -61.93 87.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.1 p -148.79 113.4 5.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -175.7 70.81 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -12.09 32.24 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.226 . . . . 0.0 112.377 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.3 p -40.87 -54.51 2.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 30.3 t -43.48 143.78 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.865 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.45 -0.26 . . . . 0.0 112.45 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.6 m -87.46 134.88 33.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.921 0.391 . . . . 0.0 110.855 -179.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 60.1 p -119.22 113.18 20.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.72 113.31 3.63 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.499 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.6 m -122.72 142.84 50.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.893 0.377 . . . . 0.0 110.859 -179.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 68.7 p -68.65 -45.92 70.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.824 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.67 49.24 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 84.6 p -131.37 130.0 42.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.877 -179.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.7 40.33 2.54 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.492 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 41.2 ttt180 -78.24 141.27 38.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 36.9 mt -146.39 138.63 25.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -88.22 127.47 35.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 40.0 t -129.05 139.0 53.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.189 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -139.76 -178.64 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.426 ' ND2' ' N ' ' A' ' 108' ' ' MET . 5.0 t30 67.72 50.19 0.9 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.043 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -93.37 132.57 37.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.6 p -70.54 115.97 10.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -44.37 -25.92 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 54.0 p -67.71 -40.26 84.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.135 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 66.6 m -63.89 153.04 38.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 45.1 m -118.08 158.16 25.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.848 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 26.9 tt0 -42.65 -40.71 2.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -59.12 -56.91 16.2 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -42.9 -46.68 5.44 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.043 HD21 HD11 ' A' ' 45' ' ' LEU . 32.9 mt -59.76 -51.83 68.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.474 ' O ' ' CB ' ' A' ' 59' ' ' SER . 17.4 mt-10 -44.27 -57.61 3.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.867 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.474 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 7.1 mptt -59.31 -54.25 48.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.903 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 27.1 tp -39.67 -66.96 0.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.922 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.434 ' O ' ' C ' ' A' ' 59' ' ' SER . 59.9 m-85 -66.14 -53.39 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.865 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 18.0 t -35.52 -39.82 0.14 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.883 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -44.13 -51.21 8.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.079 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -59.94 -41.57 92.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.958 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -174.5 -179.53 45.17 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.471 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 135.11 29.51 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.722 2.282 . . . . 0.0 112.327 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.0 mt -96.0 143.13 27.43 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.908 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 10.6 t -92.79 -46.99 7.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -154.14 145.84 23.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.87 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.411 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 15.2 tp -124.5 148.0 48.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.524 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 6.1 t-80 -135.11 104.64 6.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 3.9 t80 -119.14 100.25 50.42 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.702 0.763 . . . . 0.0 110.898 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.563 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.7 Cg_endo -69.73 138.15 37.22 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.474 HD13 ' O ' ' A' ' 70' ' ' PRO . 22.7 mm -140.95 123.58 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.139 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -57.06 131.84 51.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -75.97 -1.96 28.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 35.6 mt -103.91 -55.89 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.942 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 3.7 p -90.68 -1.58 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.573 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.2 OUTLIER 51.37 27.11 3.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.0 mttm -131.88 149.85 74.53 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.561 0.696 . . . . 0.0 110.915 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.453 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.84 151.68 68.69 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.69 2.26 . . . . 0.0 112.328 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -77.1 -12.32 59.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 107.52 34.23 2.92 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.511 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 3.2 p90 -155.75 151.03 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.844 0.355 . . . . 0.0 110.896 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -157.76 173.98 16.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.05 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -133.16 117.19 17.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.431 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.0 t -105.29 136.02 40.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.118 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 50.0 m -124.96 103.23 7.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.134 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.513 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 27.5 m-85 -72.73 152.58 41.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.8 mtp -69.22 -44.31 72.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.911 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -115.48 144.81 33.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.67 0.748 . . . . 0.0 110.867 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.5 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.5 Cg_endo -69.79 -33.56 16.25 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.262 . . . . 0.0 112.32 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.557 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 15.6 pt-20 -60.57 -32.29 71.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.557 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 28.7 m170 -81.21 -48.2 12.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.513 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -49.86 -38.78 36.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 89' ' ' PRO . 95.3 t -65.3 -50.77 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 57.4 tttt -53.97 -40.25 66.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.42 -52.99 18.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.067 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.493 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.1 t80 -53.07 -20.84 3.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.96 -40.67 16.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.108 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -85.02 -59.34 2.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.465 ' O ' ' N ' ' A' ' 102' ' ' GLN . 57.4 t -45.03 -63.32 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.135 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.406 ' C ' ' O ' ' A' ' 99' ' ' VAL . 2.5 t70 -36.7 95.19 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.86 20.47 8.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.465 ' N ' ' O ' ' A' ' 99' ' ' VAL . 8.4 pt20 -103.83 130.22 51.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 67.7 t -79.66 141.95 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.08 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.506 ' HB2' HD11 ' A' ' 109' ' ' LEU . 20.4 t80 -139.76 105.15 5.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 60.45 27.56 17.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 87.2 32.23 14.69 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.484 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.4 mmt85 -136.49 122.44 20.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.788 0.328 . . . . 0.0 110.868 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.54 ' HA ' ' HE3' ' A' ' 108' ' ' MET . 0.0 OUTLIER -72.2 98.09 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.872 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 104' ' ' PHE . 71.0 mt -73.81 117.9 16.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -102.0 138.19 39.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.885 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.7 t -130.42 123.86 56.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.119 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.419 HD13 ' HA ' ' A' ' 112' ' ' LEU . 3.6 mm? -116.72 144.13 32.73 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.611 0.719 . . . . 0.0 110.919 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.67 26.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.332 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 42.7 t -144.93 126.96 15.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.6 p -133.79 167.41 20.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.128 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 22.6 mt -61.23 106.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 33.0 mtmm -71.35 84.19 0.79 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.9 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -161.6 126.61 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 61.45 51.5 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -113.42 -43.24 3.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.128 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.4 t -108.78 44.4 1.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -72.57 145.27 47.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.912 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 31.6 m -88.43 -42.44 12.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.846 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -107.48 83.39 0.34 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 -41.05 4.68 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.318 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 43.8 t -107.75 155.11 20.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.832 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 32.1 m -50.44 -52.97 33.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.855 -179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.501 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 45.1 t -118.61 85.13 2.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.807 0.337 . . . . 0.0 110.861 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 4.9 m -95.7 135.59 37.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.838 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 56.71 58.85 12.37 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 t -87.7 94.93 9.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.868 0.366 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.8 m 55.03 46.33 24.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.886 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -129.55 -100.17 0.92 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.0 t -164.09 155.47 16.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.94 0.4 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -80.64 38.35 2.31 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.506 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 1.3 tmm_? -75.02 137.82 41.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 0.0 110.87 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.572 HD11 ' HB1' ' A' ' 92' ' ' ALA . 18.4 mt -141.45 153.51 45.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.974 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.675 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 14.0 t80 -97.77 125.82 42.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 61.5 t -124.86 141.77 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.152 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -141.74 173.62 11.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.3 t30 73.95 47.61 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.732 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -89.52 131.16 35.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 35.6 p -75.29 128.69 35.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.819 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -53.82 -17.4 2.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 59.4 p -77.98 -29.15 49.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.5 t -59.34 156.73 12.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.897 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.406 ' O ' ' N ' ' A' ' 52' ' ' GLU . 19.8 m -122.17 139.81 53.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 67' ' ' LEU . 3.6 tt0 -41.51 -26.45 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 50' ' ' SER . 6.0 tm-20 -86.72 -41.2 14.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.402 ' N ' ' O ' ' A' ' 50' ' ' SER . 12.0 t0 -55.52 -35.36 65.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.732 HD21 HD11 ' A' ' 45' ' ' LEU . 31.4 mt -67.28 -57.18 7.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.913 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.654 ' OE1' HD12 ' A' ' 64' ' ' LEU . 5.7 mm-40 -40.29 -47.07 2.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -65.19 -45.91 82.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.0 tp -51.57 -60.45 3.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.678 ' HE1' HD22 ' A' ' 54' ' ' LEU . 96.0 m-85 -68.66 -40.04 80.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.883 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.469 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.0 t -46.16 -43.85 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.874 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.88 -33.47 0.53 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -78.94 -41.09 30.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -177.79 -178.86 47.65 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.507 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.417 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.8 Cg_endo -69.77 127.07 14.06 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.671 2.247 . . . . 0.0 112.315 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.654 HD12 ' OE1' ' A' ' 55' ' ' GLU . 54.3 mt -86.26 134.49 33.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 43.7 t -86.2 -43.68 12.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 7.3 tp10 -156.96 149.43 23.27 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.87 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.445 ' CD2' ' HG2' ' A' ' 51' ' ' GLU . 13.7 tp -120.48 147.15 45.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.933 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.439 ' CE1' ' HD3' ' A' ' 70' ' ' PRO . 11.6 t-80 -133.61 100.83 4.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.849 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.452 ' CE2' HD11 ' A' ' 71' ' ' ILE . 4.4 t80 -118.42 98.93 51.58 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.677 0.751 . . . . 0.0 110.924 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.568 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.74 136.73 33.79 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.706 2.27 . . . . 0.0 112.383 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.461 HD13 ' CA ' ' A' ' 78' ' ' PRO . 9.7 mm -142.4 126.58 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.077 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -52.36 145.82 10.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 14.8 t -85.0 -11.81 54.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 6.0 mt -102.14 -57.94 1.97 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 27.5 p -75.75 -20.94 57.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 22.4 mmtp 62.93 32.23 15.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.87 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.402 ' C ' HG23 ' A' ' 71' ' ' ILE . 28.2 mtmm -137.24 153.99 75.29 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.582 0.706 . . . . 0.0 110.914 179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.461 ' CA ' HD13 ' A' ' 71' ' ' ILE . 53.4 Cg_endo -69.76 152.79 69.38 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.714 2.276 . . . . 0.0 112.322 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 4.7 mptt -82.26 -7.43 59.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.899 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 102.11 34.76 4.15 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.512 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.568 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 15.3 p90 -160.03 156.74 27.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.847 0.356 . . . . 0.0 110.883 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.94 169.56 20.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.675 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 35.4 m-85 -128.24 119.5 25.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 19.8 t -102.55 134.86 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.2 m -122.95 111.88 17.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.14 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -85.71 162.17 18.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.89 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 2.7 mmt -78.36 -47.33 17.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.876 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -102.99 147.5 34.21 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.629 0.728 . . . . 0.0 110.892 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.426 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.82 -38.75 7.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.659 2.239 . . . . 0.0 112.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -63.3 -23.77 67.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.902 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.417 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 65.3 m170 -77.9 -37.73 47.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.927 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.572 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -67.16 -29.14 68.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.4 t -68.26 -55.83 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 50.8 tttt -53.5 -39.53 64.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.879 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -69.94 -49.33 52.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.13 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -61.43 -22.88 65.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.906 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.42 -37.29 21.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.13 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.9 mt-10 -92.79 -59.12 2.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.883 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' NE2' ' A' ' 102' ' ' GLN . 65.9 t -45.38 -52.39 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.135 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -48.73 92.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.86 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 111.43 32.34 2.56 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.481 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.523 ' NE2' HG13 ' A' ' 99' ' ' VAL . 9.1 pt20 -117.99 128.86 55.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.9 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 70.8 t -77.94 136.07 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.663 ' HB2' HD11 ' A' ' 109' ' ' LEU . 54.8 t80 -136.37 114.79 11.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.8 mm-40 57.12 26.23 11.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 85.39 32.88 18.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -139.42 115.86 10.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.737 0.303 . . . . 0.0 110.913 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.578 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 5.9 tpt -63.23 96.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.663 HD11 ' HB2' ' A' ' 104' ' ' PHE . 60.1 mt -67.58 122.34 17.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.943 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -109.13 131.05 55.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.65 ' C ' HD22 ' A' ' 112' ' ' LEU . 11.3 t -120.89 133.42 67.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.0 mm? -128.63 143.99 50.53 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.579 0.704 . . . . 0.0 110.967 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 128.12 15.59 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.664 2.242 . . . . 0.0 112.379 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.439 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.2 t -123.83 162.56 23.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.817 -179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 39.4 p -133.72 -178.18 4.89 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.167 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.3 mp -89.9 132.91 33.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.159 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 1.3 tmmm? -96.64 112.42 24.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.935 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 31.0 tttp -111.54 129.56 56.02 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -154.71 165.89 35.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 62.84 40.98 9.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.104 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 58.1 m -121.8 132.67 54.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -115.7 125.43 52.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.947 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 28.2 p -155.5 154.18 31.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 113.39 69.83 0.53 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.48 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 119.18 6.17 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.239 . . . . 0.0 112.378 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 49.5 m -84.27 157.41 21.56 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.6 t -125.25 -55.22 1.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.997 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 90.8 p -124.48 135.66 53.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.825 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 45.0 m -98.07 41.9 1.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.925 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.88 -177.84 34.99 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.503 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 24.5 m -147.25 158.0 43.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.924 0.392 . . . . 0.0 110.812 -179.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 49.0 m -73.29 152.0 41.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -169.02 52.29 0.21 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.509 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.6 t -107.07 -60.8 1.63 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.92 0.391 . . . . 0.0 110.84 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 40.49 38.15 1.39 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.562 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 9.5 tpt180 -119.0 142.27 47.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.819 0.342 . . . . 0.0 110.898 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 72.3 mt -147.33 143.3 27.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -102.62 130.86 49.64 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 t -133.3 144.82 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.103 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.28 179.09 7.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.467 ' O ' HD23 ' A' ' 109' ' ' LEU . 5.3 t30 67.44 50.1 0.97 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.021 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -90.64 136.01 33.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 58.1 p -73.63 123.83 24.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -53.55 -20.17 4.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 36.1 p -72.6 -34.44 67.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.149 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.1 m -72.38 154.87 40.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 19.2 m -120.58 154.44 35.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.41 ' CG ' HD23 ' A' ' 67' ' ' LEU . 32.0 tt0 -37.82 -33.12 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 53' ' ' ASP . 21.0 tt0 -63.35 -65.77 0.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 52' ' ' GLU . 1.1 m-20 -35.83 -52.86 0.73 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.021 HD21 HD11 ' A' ' 45' ' ' LEU . 73.5 mt -53.11 -60.71 2.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.912 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.537 ' HG3' HD22 ' A' ' 67' ' ' LEU . 67.1 mt-10 -38.47 -53.27 1.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -64.5 -59.41 4.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' LYS . 12.3 tp -36.42 -57.86 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.933 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 77.8 m-85 -69.98 -46.34 65.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.9 t -43.0 -37.61 1.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.827 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.48 -40.77 8.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -70.74 -35.64 72.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.968 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.5 -176.68 47.91 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 131.35 21.0 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 0.0 112.351 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.477 HD11 ' O ' ' A' ' 55' ' ' GLU . 67.6 mt -91.26 152.46 20.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.0 t -103.45 -44.5 5.12 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 3.0 tp10 -160.13 148.38 16.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.537 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.5 tp -129.06 142.8 50.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.906 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -127.24 105.06 8.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -112.61 93.61 24.31 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.673 0.749 . . . . 0.0 110.959 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.573 ' CG ' ' CE1' ' A' ' 81' ' ' PHE . 53.3 Cg_endo -69.8 141.9 46.31 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.682 2.254 . . . . 0.0 112.282 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.438 HG22 ' N ' ' A' ' 72' ' ' ASP . 3.8 mm -140.39 154.29 22.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.438 ' N ' HG22 ' A' ' 71' ' ' ILE . 2.5 t70 -82.66 131.65 35.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.887 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.7 t -76.41 2.65 13.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.861 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 32.5 mt -105.28 -59.23 1.79 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.5 p -90.11 -11.66 40.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.153 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.433 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.0 OUTLIER 62.89 26.76 15.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -127.08 148.54 66.27 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.61 0.719 . . . . 0.0 110.866 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 135.71 31.05 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.682 2.254 . . . . 0.0 112.321 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 32.3 mttt -66.63 -15.8 63.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 108.3 38.7 1.91 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.456 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.573 ' CE1' ' CG ' ' A' ' 70' ' ' PRO . 1.0 OUTLIER -153.19 145.13 23.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.843 0.354 . . . . 0.0 110.866 -179.885 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.72 167.67 27.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.094 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 30.8 m-85 -126.08 120.62 30.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.428 HG22 ' CD1' ' A' ' 67' ' ' LEU . 62.5 t -106.27 119.92 56.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.7 m -109.25 104.43 13.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.196 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.3 m-85 -76.99 152.31 35.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.904 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.466 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -61.56 -46.41 90.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -117.15 145.96 37.01 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.61 0.719 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -38.33 7.89 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.689 2.26 . . . . 0.0 112.328 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 91' ' ' HIS . 17.2 pt-20 -52.72 -44.59 66.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.9 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.401 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 42.7 m170 -69.99 -41.61 74.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -53.65 -40.92 66.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.6 t -61.52 -47.96 91.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 33.0 tttt -55.99 -41.49 74.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.4 -38.17 81.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.055 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -70.73 -22.21 62.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.92 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.85 -26.36 24.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -99.85 -56.53 2.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.575 HG13 HE21 ' A' ' 102' ' ' GLN . 90.4 t -53.14 -58.32 3.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.165 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 25.1 t0 -39.0 92.83 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.834 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 112.0 29.77 3.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.465 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.575 HE21 HG13 ' A' ' 99' ' ' VAL . 3.2 pt20 -109.15 156.95 19.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.851 0.358 . . . . 0.0 110.893 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 87.6 t -105.29 139.93 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.097 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.559 ' HB2' HD11 ' A' ' 109' ' ' LEU . 5.7 t80 -141.79 109.27 5.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.882 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 57.18 27.91 14.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.14 31.98 33.16 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.462 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.3 mmp_? -130.01 113.73 14.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 0.0 110.86 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.572 ' SD ' ' CD2' ' A' ' 110' ' ' HIS . 0.0 OUTLIER -64.52 101.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 104' ' ' PHE . 56.9 mt -79.95 132.57 36.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.926 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.572 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 12.0 m170 -115.53 136.28 53.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 6.4 t -125.28 130.12 73.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.133 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.573 HD12 ' HD2' ' A' ' 113' ' ' PRO . 8.3 tp -129.96 139.8 36.74 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.601 0.715 . . . . 0.0 110.924 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.8 Cg_endo -69.73 130.79 20.0 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.655 2.237 . . . . 0.0 112.365 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 21.6 t -133.98 116.03 15.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.868 -179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.636 HG22 ' H ' ' A' ' 116' ' ' ILE . 1.5 m -125.48 172.51 9.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.102 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.674 ' H ' HD12 ' A' ' 116' ' ' ILE . 4.4 mp -50.85 108.32 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 8.0 ptpp? -82.0 137.59 35.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 118' ' ' LYS . 0.1 OUTLIER -165.11 145.76 7.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.858 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -136.49 133.92 37.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -157.33 166.3 33.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 25.2 t -111.19 140.39 45.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 40.4 tp60 -129.66 110.73 12.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.906 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 24.1 p -126.67 95.16 4.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 148.95 146.09 4.26 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 99.4 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.671 2.247 . . . . 0.0 112.395 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 79.4 p -132.48 119.38 20.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.7 t -61.01 124.1 19.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.853 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 58.7 m -130.5 141.24 50.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.852 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 68.9 p -159.0 141.33 13.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.26 56.67 0.47 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.51 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 2.2 m -47.41 -48.03 26.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.851 0.357 . . . . 0.0 110.855 -179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.8 t -72.18 152.03 42.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.444 ' O ' ' C ' ' A' ' 37' ' ' SER . . . 116.06 45.99 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.546 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 36' ' ' GLY . 8.1 t -34.5 148.61 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.89 0.376 . . . . 0.0 110.838 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -83.44 34.14 2.92 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.489 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 1.6 tpp85 -75.13 135.7 41.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.87 0.366 . . . . 0.0 110.84 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.547 HD11 ' O ' ' A' ' 92' ' ' ALA . 82.9 mt -145.38 132.77 20.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.503 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 26.0 t80 -91.67 129.82 37.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.909 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 5.3 t -130.97 149.66 33.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -147.82 171.37 15.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.462 ' ND2' ' O ' ' A' ' 108' ' ' MET . 6.0 t30 71.15 54.53 0.23 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.586 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.7 mm? -101.42 106.51 17.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.3 t -42.27 120.33 1.6 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -49.4 -28.39 5.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.893 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.2 p -61.42 -34.67 75.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.16 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 20.2 m -66.26 154.83 38.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.862 -179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.4 t -120.71 159.67 24.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.824 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -39.94 -45.55 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.33 -49.74 75.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -47.9 -31.62 5.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.855 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.586 HD21 ' CD1' ' A' ' 45' ' ' LEU . 43.0 mt -77.65 -51.17 11.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.487 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.5 mt-10 -51.93 -53.34 42.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.886 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.0 mtpt -59.05 -31.36 68.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.655 HD11 HE22 ' A' ' 102' ' ' GLN . 13.2 tp -71.08 -59.16 2.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.612 ' CE2' HG21 ' A' ' 84' ' ' VAL . 69.1 m-85 -70.79 -58.02 4.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 12.7 t -37.26 -50.8 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -37.8 -44.56 0.75 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.114 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.6 m-85 -65.18 -41.35 94.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.927 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 59' ' ' SER . . . -170.51 176.69 43.99 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.486 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' HD2' ' ND1' ' A' ' 91' ' ' HIS . 53.6 Cg_endo -69.76 124.21 10.85 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.663 2.242 . . . . 0.0 112.335 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.9 mt -83.71 161.95 20.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.936 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 13.9 p -119.5 -37.16 3.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -159.05 146.94 17.76 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.846 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 14.4 tp -132.79 144.98 50.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -133.24 102.47 5.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.567 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.1 t80 -117.01 93.62 42.54 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 -179.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.416 ' HG3' ' CE2' ' A' ' 81' ' ' PHE . 53.4 Cg_endo -69.74 148.33 64.95 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.539 HD12 ' HD3' ' A' ' 78' ' ' PRO . 22.1 mm -139.94 143.27 30.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.491 ' OD2' HG23 ' A' ' 75' ' ' THR . 8.5 t0 -68.87 132.4 46.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.835 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.6 m -76.08 -6.45 51.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.842 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.3 mt -107.32 -55.16 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.491 HG23 ' OD2' ' A' ' 72' ' ' ASP . 6.6 p -84.63 -5.92 59.33 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.194 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.5 27.22 6.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.921 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 32.6 mtmt -135.07 151.29 75.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.543 0.687 . . . . 0.0 110.902 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.539 ' HD3' HD12 ' A' ' 71' ' ' ILE . 54.0 Cg_endo -69.72 145.51 57.62 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.715 2.277 . . . . 0.0 112.34 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -68.36 -20.1 64.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 112.1 42.88 0.96 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.416 ' CE2' ' HG3' ' A' ' 70' ' ' PRO . 18.1 p90 -162.43 150.98 14.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 0.0 110.856 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -161.16 161.55 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.121 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.503 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 12.8 m-85 -117.94 119.27 34.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.612 HG21 ' CE2' ' A' ' 58' ' ' PHE . 61.4 t -102.99 133.96 45.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.145 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.8 m -121.66 100.87 7.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.466 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 32.8 m-85 -73.67 153.2 40.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.523 ' HA ' ' HE3' ' A' ' 87' ' ' MET . 0.0 OUTLIER -69.33 -39.82 77.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.871 179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.8 m-85 -119.85 151.82 52.93 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.708 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.475 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.72 -46.42 1.25 Allowed 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.666 2.244 . . . . 0.0 112.368 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 20.6 pm0 -54.13 -32.24 54.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.42 ' ND1' ' HD2' ' A' ' 63' ' ' PRO . 47.5 m170 -80.72 -26.9 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.846 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.547 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -78.56 -13.29 59.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PRO . 85.1 t -84.42 -47.69 17.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 27.4 ttpt -53.65 -46.87 70.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 99' ' ' VAL . . . -60.57 -50.56 73.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.119 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.44 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -63.78 -18.19 63.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -90.64 -36.88 14.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.113 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -92.4 -56.38 3.06 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.979 HG13 HE21 ' A' ' 102' ' ' GLN . 66.6 t -51.07 -54.02 12.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.142 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -49.67 98.92 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 118.12 5.6 13.12 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.416 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.979 HE21 HG13 ' A' ' 99' ' ' VAL . 13.2 pt20 -102.4 164.7 11.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.854 0.359 . . . . 0.0 110.889 -179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 52.1 t -117.17 135.99 55.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.167 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 10.0 t80 -125.95 105.15 8.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 68.22 32.32 4.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.897 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 80.55 26.08 55.14 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.531 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 mmt180 -134.19 114.21 12.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.82 0.343 . . . . 0.0 110.859 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.462 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.3 mtp -60.94 116.61 4.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.893 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.434 HD12 HE21 ' A' ' 102' ' ' GLN . 20.9 mt -80.2 122.56 27.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.921 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 8.2 m170 -104.65 122.77 46.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.873 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.8 t -121.93 134.57 64.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 39.2 mt -133.45 143.24 47.16 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.682 0.753 . . . . 0.0 110.87 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 123.52 10.19 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.696 2.264 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.0 t -124.47 115.54 21.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.894 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 69.8 p -127.34 151.35 48.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.11 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 46.0 mt -39.27 120.61 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -95.93 90.18 5.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.885 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -76.17 141.52 41.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -129.79 96.47 4.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -167.88 164.16 13.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.087 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 99.8 p -67.96 -46.68 70.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.891 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 44.1 tp60 -171.35 138.75 1.23 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -61.64 2.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.813 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 140.26 77.45 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 80.89 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.65 2.234 . . . . 0.0 112.346 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 m -144.99 163.46 34.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.897 -179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.9 m -57.67 128.77 38.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.441 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.9 t -170.39 156.31 5.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.884 0.373 . . . . 0.0 110.918 -179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 39.6 m -54.08 139.92 33.43 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.829 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.5 46.6 3.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.503 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.8 m -167.54 160.74 13.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.818 0.342 . . . . 0.0 110.892 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 89.2 p -112.3 44.29 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -164.33 98.81 0.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.464 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 82.4 p -83.14 138.09 33.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.914 0.388 . . . . 0.0 110.838 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.53 38.08 3.26 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.497 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.9 ttp180 -74.72 139.43 43.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.876 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 79.9 mt -145.58 126.58 14.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 50.3 t80 -84.89 127.62 34.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 38.9 t -124.4 142.79 40.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.161 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.49 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -140.33 165.69 26.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.49 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 6.6 t30 74.96 54.36 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.925 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' CD1' HD21 ' A' ' 54' ' ' LEU . 1.5 mm? -97.02 111.36 23.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -53.96 127.94 28.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.849 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -48.43 -42.97 33.78 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.947 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 18.4 p -53.84 -28.61 36.76 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.174 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 44.2 m -69.71 142.93 53.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.858 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.9 m -113.56 159.4 19.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -52.0 -48.03 64.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.902 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -56.59 -48.84 76.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -51.46 -42.65 61.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.875 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.463 HD21 ' CD1' ' A' ' 45' ' ' LEU . 54.8 mt -59.4 -56.93 15.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.908 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 86.7 mt-10 -39.51 -55.42 1.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.861 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -58.67 -45.16 90.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.13 -54.92 37.06 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.914 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.647 ' CE2' HG21 ' A' ' 84' ' ' VAL . 71.5 m-85 -73.33 -63.16 1.25 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.45 ' C ' ' O ' ' A' ' 58' ' ' PHE . 77.4 p -34.39 -37.88 0.06 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.84 -179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.41 ' N ' ' O ' ' A' ' 58' ' ' PHE . . . -42.41 -52.11 4.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.122 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -59.33 -44.38 92.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.991 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.31 -177.65 41.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.456 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 119.48 6.42 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.661 2.241 . . . . 0.0 112.34 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.486 HD21 ' HB3' ' A' ' 58' ' ' PHE . 87.1 mt -79.98 150.26 30.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.78 ' HB3' HG22 ' A' ' 85' ' ' THR . 35.1 t -96.04 -45.67 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.798 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.436 ' C ' ' CD ' ' A' ' 66' ' ' GLU . 2.8 tm-20 -158.56 153.27 24.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD1' HG22 ' A' ' 84' ' ' VAL . 11.8 tp -132.98 142.69 48.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.91 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.3 t-80 -132.47 102.05 5.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.904 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.2 t80 -108.3 93.61 11.75 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.689 0.756 . . . . 0.0 110.928 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.535 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.71 136.9 34.29 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.73 2.287 . . . . 0.0 112.361 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 9.8 mm -136.96 140.59 42.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -72.67 140.54 47.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.6 m -86.29 0.45 53.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 42.9 mt -105.13 -50.85 3.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.892 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 2.6 p -98.9 1.38 45.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.178 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.491 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 3.6 mptt 46.18 26.2 0.42 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -129.84 146.16 60.13 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.577 0.703 . . . . 0.0 110.915 179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.89 142.1 46.47 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.638 2.225 . . . . 0.0 112.314 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 31.7 mttt -70.85 -14.23 62.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.86 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 106.27 42.16 1.67 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.505 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.535 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -160.07 148.44 17.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.351 . . . . 0.0 110.873 -179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -161.06 164.39 30.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.126 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -116.79 118.62 33.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.647 HG21 ' CE2' ' A' ' 58' ' ' PHE . 84.8 t -108.72 123.61 64.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.161 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.78 HG22 ' HB3' ' A' ' 65' ' ' SER . 96.3 m -111.1 138.73 47.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.123 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -108.27 152.32 24.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.441 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -72.05 -47.42 51.76 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.86 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 87.1 m-85 -109.48 143.57 28.06 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.669 0.747 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -49.0 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.333 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 21.0 pm0 -49.15 -31.58 8.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.934 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 50.8 m170 -81.14 -46.39 14.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.833 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -51.29 -26.53 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.3 t -76.19 -49.87 24.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.112 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.2 tttt -50.49 -47.58 57.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -64.5 -52.75 56.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.099 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.5 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.7 t80 -53.45 -21.94 6.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.924 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.04 -38.47 24.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.073 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -89.62 -59.48 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.679 HG13 ' NE2' ' A' ' 102' ' ' GLN . 58.8 t -42.68 -59.79 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.133 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.6 t0 -45.15 108.19 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 100.51 14.57 32.12 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.474 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.684 ' NE2' HD12 ' A' ' 109' ' ' LEU . 12.8 pt20 -97.44 161.04 13.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.806 0.336 . . . . 0.0 110.933 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 69.1 t -115.09 133.51 61.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.103 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 27.9 t80 -135.36 107.91 7.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 19.0 mm-40 65.42 35.23 7.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 74.34 28.71 63.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -134.74 112.83 11.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 110.915 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.438 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 6.5 mtp -65.46 116.48 6.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.91 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.684 HD12 ' NE2' ' A' ' 102' ' ' GLN . 41.0 mt -87.79 121.34 30.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.935 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -104.06 113.07 26.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.831 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.555 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.5 t -105.98 132.39 53.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.139 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 87.1 mt -132.82 143.32 48.16 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.669 0.747 . . . . 0.0 110.85 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 128.31 15.85 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.333 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 34.3 t -131.91 142.27 49.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.884 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 59.0 p -146.84 179.41 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.162 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 5.2 mp -84.19 120.07 34.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.137 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -58.58 108.54 0.65 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 4.2 mmmp? -118.05 121.91 41.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.887 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -118.62 89.99 3.24 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -165.4 150.23 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.061 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -83.12 42.16 0.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.871 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 17.5 tp60 -87.76 91.31 8.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.402 ' O ' ' HD3' ' A' ' 125' ' ' PRO . 10.2 m -146.7 112.13 5.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.84 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -106.61 84.55 0.39 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 123' ' ' SER . 54.1 Cg_endo -69.73 145.03 56.04 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.374 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 64.9 p -161.98 161.3 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 55.7 m -106.26 100.14 9.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.845 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 89.7 p -130.31 147.92 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.835 0.35 . . . . 0.0 110.874 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.7 m -130.62 -46.12 1.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.816 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.32 -128.81 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.483 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 74.2 m -126.29 91.03 3.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.894 0.378 . . . . 0.0 110.868 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 t -74.75 101.38 4.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 160.79 -41.51 0.43 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.0 t -134.55 142.31 46.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.969 0.414 . . . . 0.0 110.838 -179.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -126.24 37.71 2.39 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.467 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.5 ttt180 -80.23 150.37 30.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.867 0.365 . . . . 0.0 110.885 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 24.3 mt -147.99 137.91 22.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.927 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.441 ' CD1' ' CE1' ' A' ' 83' ' ' PHE . 13.4 t80 -87.6 121.03 29.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 t -119.67 141.99 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.11 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -144.99 171.02 15.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.868 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 108' ' ' MET . 4.5 t30 71.65 54.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 mm? -104.79 111.13 23.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.456 ' N ' ' HD2' ' A' ' 107' ' ' ARG . 1.5 t -52.45 133.68 35.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -55.13 -25.58 32.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.925 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.7 p -65.21 -14.09 59.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.151 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t -82.58 145.42 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 -179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.2 m -118.35 148.3 42.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -41.27 -42.23 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -62.32 -47.11 85.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.854 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -55.0 -47.58 74.48 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.466 HD11 ' CE1' ' A' ' 69' ' ' TYR . 76.8 mt -61.45 -49.99 74.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -45.54 -57.78 3.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 11.9 mptt -57.06 -49.12 76.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.906 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.5 tp -46.62 -70.95 0.08 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.93 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.479 ' CB ' HD21 ' A' ' 64' ' ' LEU . 76.3 m-85 -59.16 -36.78 75.88 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 t -51.43 -39.18 56.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.842 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.18 -48.15 68.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.114 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 92.9 m-85 -64.2 -30.54 71.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 176.76 171.62 40.58 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.483 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 119.42 6.37 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.479 HD21 ' CB ' ' A' ' 58' ' ' PHE . 55.1 mt -77.19 125.66 29.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.874 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 53.3 p -86.52 -27.01 24.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.832 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 5.9 tt0 -169.9 139.18 1.87 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 22.7 tp -120.43 147.52 44.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -133.36 101.07 5.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.466 ' CE1' HD11 ' A' ' 54' ' ' LEU . 2.3 t80 -116.24 93.73 40.15 Favored Pre-proline 0 C--N 1.328 -0.369 0 CA-C-O 121.696 0.76 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.546 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.8 Cg_endo -69.79 140.76 43.34 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.655 2.237 . . . . 0.0 112.362 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.539 HD13 ' O ' ' A' ' 70' ' ' PRO . 19.8 mm -140.91 148.88 21.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.144 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -74.34 135.73 42.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 21.1 p -78.5 -0.34 29.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 mt -106.89 -58.34 1.95 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 19.8 p -85.19 -15.04 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.154 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 30.0 mmtm 61.53 29.48 18.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.916 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.472 ' C ' HG23 ' A' ' 71' ' ' ILE . 33.5 mttt -132.28 150.99 77.53 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.547 0.689 . . . . 0.0 110.897 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.408 ' HD3' HD12 ' A' ' 71' ' ' ILE . 53.9 Cg_endo -69.81 136.8 33.78 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.637 2.225 . . . . 0.0 112.389 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 15.8 mttp -65.89 -26.74 67.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 122.63 38.13 0.59 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.527 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.546 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 9.5 p90 -162.49 146.01 11.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.838 0.352 . . . . 0.0 110.859 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -153.57 167.08 30.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE1' ' CD1' ' A' ' 41' ' ' PHE . 34.6 m-85 -124.6 116.98 23.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.869 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.1 t -104.21 140.04 23.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.14 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 36.4 m -127.72 109.01 11.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -84.16 137.25 33.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.5 ttm -55.27 -48.43 74.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -111.82 143.88 29.54 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.491 ' O ' HG23 ' A' ' 93' ' ' VAL . 54.1 Cg_endo -69.69 -33.46 16.82 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.666 2.244 . . . . 0.0 112.354 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -51.35 -48.01 62.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.7 m170 -74.09 -33.31 63.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -60.26 -24.66 65.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.111 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 89' ' ' PRO . 93.1 t -78.92 -49.82 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.083 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -52.47 -54.46 32.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.72 -51.21 61.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -60.37 -18.2 48.77 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.899 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -88.63 -31.28 18.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.106 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -96.16 -59.44 1.84 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.719 HG13 ' OE1' ' A' ' 102' ' ' GLN . 42.2 t -48.47 -58.98 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.34 104.93 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 103.87 22.56 8.79 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.467 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.719 ' OE1' HG13 ' A' ' 99' ' ' VAL . 4.4 pt20 -115.4 163.5 15.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 0.0 110.922 -179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 73.1 t -108.35 139.68 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.638 ' HB2' HD11 ' A' ' 109' ' ' LEU . 6.9 t80 -138.04 110.93 7.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 61.76 28.76 17.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.927 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 84.25 25.19 44.88 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.501 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.456 ' HD2' ' N ' ' A' ' 46' ' ' SER . 16.8 mtt-85 -134.24 123.0 23.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.875 0.369 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.598 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 4.1 tpt -68.19 105.03 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.638 HD11 ' HB2' ' A' ' 104' ' ' PHE . 31.3 mt -70.28 124.61 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -112.83 107.28 15.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 7.8 t -102.37 128.47 55.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.4 mt -127.7 141.6 41.56 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.583 0.706 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 138.25 37.43 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.682 2.255 . . . . 0.0 112.357 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 13.1 t -134.23 138.13 44.85 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.855 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.2 p -141.88 160.7 39.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.115 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 59.8 mt -68.92 129.34 33.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.148 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -132.99 105.89 7.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 ptmt -117.37 136.04 53.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -117.65 81.76 1.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.92 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -137.59 174.93 10.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 52.8 p -172.54 121.67 0.42 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.905 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -51.45 -60.21 3.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.3 t -158.01 138.28 12.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 63.81 -158.49 40.64 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 177.04 5.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.723 2.282 . . . . 0.0 112.328 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.8 m -44.45 99.41 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 50.5 m -83.79 137.29 33.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 28.6 t -50.56 131.94 25.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.928 0.394 . . . . 0.0 110.83 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 41.3 t -45.38 -53.31 8.79 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.866 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 155.88 -152.44 23.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.421 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 52.0 p -103.49 94.36 5.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.887 0.375 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.2 p -116.84 129.76 56.29 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.874 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -168.25 53.68 0.22 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.444 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 1.4 t -113.32 132.02 55.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.914 0.388 . . . . 0.0 110.879 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.42 34.22 3.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.487 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 27.6 ttt180 -96.07 145.73 25.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.849 0.356 . . . . 0.0 110.842 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 89.4 mt -144.31 126.74 15.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -88.15 130.51 35.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.667 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 21.7 t -129.49 141.37 46.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 9.8 ptp180 -140.83 169.87 16.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.84 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.506 ' ND2' ' N ' ' A' ' 108' ' ' MET . 6.2 t30 74.23 46.15 0.18 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.011 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -86.08 146.7 26.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.926 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -84.59 127.68 34.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.833 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.02 -39.82 66.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.944 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.5 p -59.99 -14.03 14.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.173 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.4 m -83.2 146.04 28.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' O ' ' N ' ' A' ' 52' ' ' GLU . 39.9 m -114.99 148.45 38.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.859 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -37.66 -28.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.5 ' N ' ' O ' ' A' ' 50' ' ' SER . 0.0 OUTLIER -76.58 -47.19 23.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.8 m-20 -49.59 -44.16 46.83 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.83 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.011 HD21 HD11 ' A' ' 45' ' ' LEU . 28.1 mt -61.41 -56.42 20.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.921 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.675 ' HG3' HD22 ' A' ' 67' ' ' LEU . 28.2 mt-10 -43.78 -52.11 6.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 mtpt -56.79 -32.42 65.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.659 HD22 ' CE1' ' A' ' 104' ' ' PHE . 10.3 tp -76.3 -55.8 5.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.667 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 40.6 m-85 -71.88 -59.9 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 4.8 t -40.58 -41.78 1.54 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.45 -42.94 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -67.97 -42.32 81.05 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.02 177.92 42.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 118.6 5.78 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.688 2.259 . . . . 0.0 112.334 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.506 HD23 ' CE1' ' A' ' 86' ' ' PHE . 69.4 mt -80.19 129.29 34.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.875 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 36.2 t -87.75 -28.04 21.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.877 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -168.88 137.25 2.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.675 HD22 ' HG3' ' A' ' 55' ' ' GLU . 15.6 tp -121.58 144.27 48.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.879 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.887 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 1.7 t-80 -125.05 118.99 27.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.837 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.411 ' HA ' ' HD2' ' A' ' 70' ' ' PRO . 2.2 t80 -132.23 93.61 25.61 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.641 0.734 . . . . 0.0 110.919 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.566 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.0 Cg_endo -69.8 139.97 41.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.659 2.24 . . . . 0.0 112.351 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.427 ' CG2' ' C ' ' A' ' 76' ' ' LYS . 6.0 mm -142.58 127.93 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.148 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -58.79 131.13 50.02 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.886 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 9.6 t -76.18 2.19 13.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 49.7 mt -103.04 -55.3 2.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.7 p -95.08 -15.36 23.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.127 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.427 ' C ' ' CG2' ' A' ' 71' ' ' ILE . 21.1 mmtp 67.61 26.05 8.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.2 mttm -125.36 145.53 51.21 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.539 0.685 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.85 155.98 64.28 Favored 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.77 -1.3 57.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.924 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 44' ' ' ASN . . . 91.93 39.43 5.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.471 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.566 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 0.8 OUTLIER -158.77 150.31 20.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.87 -179.894 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.887 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.92 175.5 11.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.079 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 46.5 m-85 -132.01 119.16 20.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.0 t -104.42 142.59 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.116 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 91.6 m -133.57 108.82 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.506 ' CE1' HD23 ' A' ' 64' ' ' LEU . 34.6 m-85 -81.94 143.97 31.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.881 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 23.1 ttm -56.85 -37.36 71.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.909 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -124.73 147.95 57.74 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.624 0.726 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 -49.29 0.58 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.702 2.268 . . . . 0.0 112.345 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -38.19 -44.12 0.83 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -71.7 -47.78 51.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.826 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -47.63 -29.72 3.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.084 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 84.8 t -68.27 -51.02 52.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -55.37 -42.39 73.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.899 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.26 -48.36 57.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.098 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.2 t80 -65.59 -18.52 65.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.931 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -84.92 -33.53 22.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.12 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -96.77 -59.7 1.75 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.597 HG12 ' CG2' ' A' ' 111' ' ' VAL . 85.3 t -42.78 -55.45 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.146 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 100' ' ' ASP . 9.4 p-10 -50.71 99.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.926 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 105.45 24.22 7.21 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.441 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.596 HE22 HD11 ' A' ' 57' ' ' LEU . 10.0 pt20 -110.54 152.07 26.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.869 0.366 . . . . 0.0 110.915 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 45.9 t -99.44 126.65 52.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.157 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.659 ' CE1' HD22 ' A' ' 57' ' ' LEU . 8.4 t80 -105.86 99.05 8.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.872 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 104' ' ' PHE . 3.6 pt20 48.37 26.61 1.16 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 103.46 29.83 5.52 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.543 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 8.4 mmp_? -133.15 115.46 15.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.921 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.506 ' N ' ' ND2' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -71.7 94.01 1.32 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.557 HD11 ' HB2' ' A' ' 104' ' ' PHE . 52.7 mt -74.0 123.36 24.18 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.436 ' HB2' ' CG ' ' A' ' 43' ' ' ARG . 15.9 m170 -106.45 103.25 12.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.597 ' CG2' HG12 ' A' ' 99' ' ' VAL . 12.4 t -92.93 139.74 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.7 tp -143.95 138.0 14.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.6 0.714 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.577 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.6 Cg_endo -69.78 130.91 20.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.672 2.248 . . . . 0.0 112.327 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 22.2 t -117.92 119.22 34.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.85 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 116' ' ' ILE . 3.7 m -133.76 160.78 36.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.142 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.496 ' H ' HD12 ' A' ' 116' ' ' ILE . 2.9 mp -41.14 116.46 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -74.32 77.31 1.85 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -153.54 142.65 21.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.898 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -125.04 101.34 6.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.946 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -122.42 129.11 51.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.128 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 7.2 t -130.92 47.79 2.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.893 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 123' ' ' SER . 20.3 pt20 -47.92 -48.38 31.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.903 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 122' ' ' GLN . 9.5 t -156.41 129.14 7.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.859 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . -114.41 77.26 0.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.506 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 112.95 3.22 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.726 2.284 . . . . 0.0 112.309 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 2.3 m -79.6 136.26 36.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 49.1 m -146.68 125.58 12.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.842 -179.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.481 -180.0 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -165.25 131.37 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.878 0.37 . . . . 0.0 110.858 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.7 p -58.47 -47.92 82.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.859 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.85 150.74 3.74 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 31.5 m -70.45 129.27 38.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.852 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.9 m -106.8 78.98 1.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.84 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.62 37.97 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.8 t -146.1 129.08 16.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.91 0.386 . . . . 0.0 110.862 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.27 29.17 8.54 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.486 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 63.3 ttt180 -81.39 130.04 34.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 110.882 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.608 HD11 ' HB1' ' A' ' 92' ' ' ALA . 56.1 mt -141.36 131.82 25.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.899 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 16.8 t80 -85.84 125.2 33.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 16.9 t -122.74 141.3 43.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.167 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 16.7 ptt180 -137.84 170.51 15.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.941 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.498 ' ND2' ' O ' ' A' ' 108' ' ' MET . 3.3 t30 74.74 54.51 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.869 HD11 HD21 ' A' ' 54' ' ' LEU . 4.4 mm? -95.69 117.9 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.7 p -57.23 129.08 40.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -59.53 -12.91 7.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.892 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 11.8 p -89.38 0.0 57.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.105 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.7 t -93.63 135.81 34.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.836 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 51' ' ' GLU . 16.8 m -102.2 140.13 36.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.865 -179.845 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.412 ' C ' ' O ' ' A' ' 50' ' ' SER . 34.9 tt0 -37.13 -33.6 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 50' ' ' SER . 50.0 tt0 -66.6 -50.72 62.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 50' ' ' SER . 4.4 m-20 -49.98 -52.44 33.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.889 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.869 HD21 HD11 ' A' ' 45' ' ' LEU . 33.6 mt -54.88 -48.83 72.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.476 ' O ' ' CB ' ' A' ' 59' ' ' SER . 61.8 mt-10 -46.63 -54.18 10.05 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -63.53 -45.7 89.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.872 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 28.1 tp -46.72 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.442 ' HE2' HD22 ' A' ' 54' ' ' LEU . 85.9 m-85 -67.57 -44.07 79.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 25.9 t -46.73 -31.84 3.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.886 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.22 -39.6 72.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.12 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.406 ' CD1' ' HG3' ' A' ' 94' ' ' LYS . 92.6 m-85 -74.72 -44.03 52.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.891 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -164.86 169.63 39.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.447 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 112.99 3.21 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.35 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.4 mt -71.88 136.31 46.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.8 p -94.37 -37.97 11.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -154.3 139.2 17.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.4 tp -125.25 141.24 52.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.42 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 2.8 t60 -125.96 104.27 8.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.9 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -118.98 93.67 47.1 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.655 0.74 . . . . 0.0 110.871 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.579 ' O ' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.77 136.69 33.61 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.722 2.281 . . . . 0.0 112.367 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.579 HD13 ' O ' ' A' ' 70' ' ' PRO . 23.3 mm -141.36 125.22 16.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -57.24 136.39 56.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.8 m -81.62 0.14 39.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.422 ' O ' ' CD ' ' A' ' 76' ' ' LYS . 61.9 mt -106.4 -55.12 2.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.414 ' C ' ' HD3' ' A' ' 76' ' ' LYS . 6.2 p -87.41 -12.25 46.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.168 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . 0.466 ' CD ' ' N ' ' A' ' 76' ' ' LYS . 0.4 OUTLIER 60.48 31.97 20.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.0 mttt -136.45 151.04 72.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.585 0.707 . . . . 0.0 110.934 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.473 ' HB3' HD13 ' A' ' 71' ' ' ILE . 53.5 Cg_endo -69.74 167.41 24.5 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.683 2.255 . . . . 0.0 112.345 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.72 0.74 57.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 88.97 37.0 7.42 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 5.5 p90 -162.98 153.39 16.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 0.0 110.872 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.42 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -162.9 166.32 24.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.069 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -119.34 120.49 37.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.418 HG21 ' CE2' ' A' ' 58' ' ' PHE . 67.8 t -105.29 125.31 60.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.146 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.9 m -116.42 102.36 9.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.12 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -75.63 151.28 37.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.877 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.7 mtt -68.37 -32.65 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -124.15 146.29 50.99 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.643 0.735 . . . . 0.0 110.911 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -38.94 6.94 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.71 2.273 . . . . 0.0 112.332 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -52.77 -42.61 65.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.903 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -68.58 -51.4 43.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.841 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.608 ' HB1' HD11 ' A' ' 40' ' ' LEU . . . -42.83 -41.57 3.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.5 t -60.64 -50.96 78.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.15 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.406 ' HG3' ' CD1' ' A' ' 61' ' ' TYR . 0.0 OUTLIER -49.63 -60.26 3.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.888 179.897 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -50.93 -49.66 59.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.097 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -61.07 -17.73 54.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.887 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -91.66 -25.89 18.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -100.47 -58.57 1.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.753 HG13 HE21 ' A' ' 102' ' ' GLN . 63.9 t -52.01 -52.26 24.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.131 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -49.14 87.69 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.849 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 114.35 28.69 2.96 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.451 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.753 HE21 HG13 ' A' ' 99' ' ' VAL . 8.6 pt20 -118.51 150.32 39.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.859 0.362 . . . . 0.0 110.958 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 60.1 t -96.9 140.13 18.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.134 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -143.0 110.16 5.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 58.33 34.65 24.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.931 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 76.02 31.27 55.88 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.462 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.8 mmt180 -141.0 112.15 7.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.79 0.328 . . . . 0.0 110.863 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.498 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 11.6 mtp -65.63 117.48 8.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.472 HD12 ' CG ' ' A' ' 102' ' ' GLN . 38.8 mt -82.5 125.33 30.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 15.2 m170 -110.96 120.78 43.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 8.4 t -110.8 135.23 50.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.11 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.576 HD12 ' HD2' ' A' ' 113' ' ' PRO . 16.1 tp -130.76 138.26 32.61 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.62 0.724 . . . . 0.0 110.924 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . 0.576 ' HD2' HD12 ' A' ' 112' ' ' LEU . 53.3 Cg_endo -69.77 126.25 13.08 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.659 2.24 . . . . 0.0 112.331 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 115' ' ' THR . 2.1 m -119.05 126.05 50.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.805 -179.788 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 114' ' ' SER . 1.3 p -160.19 160.94 33.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.11 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.596 HD12 ' N ' ' A' ' 116' ' ' ILE . 3.3 mp -82.08 112.99 20.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.084 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -90.69 117.61 29.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -145.22 148.73 33.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 pp20? -141.61 169.94 16.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . 52.17 44.72 29.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.091 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 11.2 m -109.52 91.37 3.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.813 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -54.86 121.91 9.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 73.7 m -88.55 142.14 27.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 60.06 145.09 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -27.84 25.82 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 88.7 p -125.51 149.72 48.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 38.3 m -52.73 103.76 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.845 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.976 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 t -148.01 165.28 31.24 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.938 0.399 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.5 t -75.1 105.7 6.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 86.93 178.03 49.09 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.545 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.9 t -98.83 110.04 22.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.916 0.388 . . . . 0.0 110.84 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.9 m -82.84 154.45 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -139.67 38.42 1.63 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.546 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 90.4 p -77.69 104.15 8.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.94 0.4 . . . . 0.0 110.869 -179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 46.8 3.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -79.29 140.91 37.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.788 0.328 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.696 HD11 ' O ' ' A' ' 92' ' ' ALA . 32.1 mt -145.06 139.52 27.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.951 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 35.4 t80 -86.32 131.74 34.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.895 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 15.1 t -130.1 130.86 66.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.486 ' HD3' ' N ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -133.07 166.7 21.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.486 ' N ' ' HD3' ' A' ' 43' ' ' ARG . 3.5 t-20 74.95 54.64 0.07 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.933 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.998 HD11 HD21 ' A' ' 54' ' ' LEU . 4.3 mm? -95.14 107.41 19.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.935 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.2 t -47.0 124.78 6.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.801 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -53.75 -29.84 41.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.0 p -67.99 -21.99 65.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.2 m -78.62 151.38 32.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.848 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.426 ' O ' ' CG ' ' A' ' 53' ' ' ASP . 1.8 m -112.15 172.55 6.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -68.12 -34.51 76.5 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.66 -57.25 13.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.426 ' CG ' ' O ' ' A' ' 50' ' ' SER . 0.3 OUTLIER -46.44 -53.55 10.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.998 HD21 HD11 ' A' ' 45' ' ' LEU . 40.4 mt -47.18 -54.86 9.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' A' ' 59' ' ' SER . 46.8 mt-10 -46.11 -53.53 10.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.432 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 1.1 mptm? -61.74 -55.22 32.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.1 tp -39.82 -66.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.538 ' HE2' HD22 ' A' ' 54' ' ' LEU . 80.2 m-85 -65.67 -47.54 75.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.849 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 5.7 t -35.76 -41.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.904 -179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.46 -50.87 29.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -59.57 -44.07 93.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -168.77 171.83 42.95 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 112.04 2.98 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.628 2.219 . . . . 0.0 112.359 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' A' ' 55' ' ' GLU . 60.5 mt -68.11 129.57 40.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.901 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.8 t -87.71 -35.53 17.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -161.58 148.69 14.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.888 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.452 HD22 ' HG2' ' A' ' 55' ' ' GLU . 14.3 tp -130.6 143.98 51.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -129.6 100.97 5.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.904 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -115.91 93.64 38.7 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.721 0.772 . . . . 0.0 110.954 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.516 ' HG3' ' CZ ' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.78 137.91 36.52 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.708 2.272 . . . . 0.0 112.309 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.456 HD13 ' O ' ' A' ' 70' ' ' PRO . 14.4 mm -138.77 129.35 33.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.39 125.01 22.25 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.865 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.4 t -71.39 -1.72 14.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.855 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 86.2 mt -102.3 -55.54 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 5.3 p -91.03 -3.54 57.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.149 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 16.6 mmtp 51.22 34.32 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.897 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.2 mtmm -138.08 150.95 68.89 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.518 0.675 . . . . 0.0 110.927 179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 161.43 45.96 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.693 2.262 . . . . 0.0 112.344 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 5.9 mptt -89.58 -4.56 57.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 95.36 38.42 4.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.522 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.516 ' CZ ' ' HG3' ' A' ' 70' ' ' PRO . 4.3 p90 -162.57 153.23 17.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.868 0.366 . . . . 0.0 110.895 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -162.02 167.16 24.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 36.7 m-85 -124.76 117.58 24.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.876 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.6 t -103.23 134.19 45.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.106 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 73.3 m -122.22 112.6 18.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.096 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.744 ' HB2' ' HB2' ' A' ' 92' ' ' ALA . 25.4 m-85 -86.34 138.44 31.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.409 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 23.1 ttm -51.29 -48.36 62.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 87' ' ' MET . 34.6 m-85 -114.97 149.82 43.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.682 0.753 . . . . 0.0 110.868 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.7 Cg_endo -69.74 -37.96 8.49 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.754 2.303 . . . . 0.0 112.301 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.561 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 10.3 pt-20 -48.67 -48.51 39.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.87 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.561 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 15.3 m170 -70.64 -50.49 36.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.744 ' HB2' ' HB2' ' A' ' 86' ' ' PHE . . . -48.56 -31.96 7.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.089 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 89' ' ' PRO . 83.8 t -73.85 -44.07 52.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.103 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -57.94 -41.28 82.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.28 -43.33 86.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.099 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -65.41 -21.69 66.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.75 -31.86 28.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.109 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 -98.06 -59.38 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.893 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 101' ' ' GLY . 94.6 t -47.9 -65.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 99' ' ' VAL . 25.6 t0 -34.44 93.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.19 11.42 9.87 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.48 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.535 ' CG ' HD12 ' A' ' 109' ' ' LEU . 3.1 pt20 -94.57 165.3 12.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.863 0.363 . . . . 0.0 110.945 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.743 HG22 ' SD ' ' A' ' 108' ' ' MET . 48.5 t -118.12 132.86 66.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.169 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.584 ' HB2' HD11 ' A' ' 109' ' ' LEU . 2.9 t80 -129.95 111.32 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 60.16 40.84 17.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 69.61 27.46 73.35 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.49 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -130.5 111.68 12.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.822 0.344 . . . . 0.0 110.888 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.743 ' SD ' HG22 ' A' ' 103' ' ' VAL . 44.7 mmm -61.46 124.67 21.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.889 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.584 HD11 ' HB2' ' A' ' 104' ' ' PHE . 69.9 mt -97.28 122.1 39.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.421 ' CD2' ' N ' ' A' ' 110' ' ' HIS . 6.6 m170 -108.13 99.53 8.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.441 HG21 ' CG1' ' A' ' 99' ' ' VAL . 14.8 t -90.07 124.54 42.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.166 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.416 HD22 ' C ' ' A' ' 111' ' ' VAL . 4.5 mm? -115.53 144.76 33.06 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.629 0.728 . . . . 0.0 110.907 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 129.42 17.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.706 2.271 . . . . 0.0 112.339 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.0 t -131.31 146.06 52.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.813 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 40.2 p -141.38 164.67 29.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.086 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 40.6 mm -65.1 120.42 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -75.11 115.28 14.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.867 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -171.45 132.2 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -165.39 137.31 4.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -154.49 140.11 17.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.091 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 30.8 t -85.19 95.64 9.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 -179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -129.21 102.04 6.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.932 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 80.3 p -126.57 149.18 49.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 147.5 150.24 5.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.526 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 169.4 19.01 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.697 2.265 . . . . 0.0 112.34 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 17.5 m -120.72 -46.59 2.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.2 m -127.91 102.64 6.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.824 -179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.454 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.9 m 62.63 42.57 8.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.85 0.357 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.5 m -49.0 105.52 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 167.38 120.45 0.52 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.513 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 35' ' ' SER . 34.7 t -78.61 130.8 36.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.899 0.38 . . . . 0.0 110.859 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 34' ' ' SER . 57.1 p -37.67 120.82 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.861 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 161.36 51.88 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.525 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.3 t -119.85 -63.09 1.41 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.876 0.369 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.467 ' O ' ' N ' ' A' ' 86' ' ' PHE . . . 38.88 36.47 0.48 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.506 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.486 ' CD ' ' HB3' ' A' ' 114' ' ' SER . 2.0 tmm_? -116.05 150.71 36.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.878 0.371 . . . . 0.0 110.88 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 61.1 mt -145.4 164.58 31.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -117.63 117.29 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.9 t -120.2 146.39 25.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.117 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 17.7 ptt-85 -148.07 178.27 8.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.872 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 2.3 t30 72.15 41.36 0.64 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.891 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 45' ' ' LEU . 1.6 mm? -87.84 130.23 34.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -64.99 120.61 12.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.852 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -45.8 -45.07 14.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.913 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 44.7 p -51.4 -34.6 35.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.16 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.5 m -64.27 151.25 44.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 39.5 m -116.33 162.98 16.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.849 -179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -52.63 -44.4 66.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.853 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -57.69 -38.5 75.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.855 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -60.05 -42.15 93.87 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.856 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.415 HD21 ' CD1' ' A' ' 45' ' ' LEU . 63.9 mt -64.86 -53.9 39.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.949 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.0 mt-10 -38.61 -56.41 1.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -59.59 -55.44 34.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.524 HD11 HE22 ' A' ' 102' ' ' GLN . 13.7 tp -40.76 -67.31 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.941 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.478 ' CE2' HG21 ' A' ' 84' ' ' VAL . 76.4 m-85 -62.94 -54.04 44.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.448 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 9.1 t -35.82 -44.12 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.881 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -43.34 -52.22 5.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.099 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -59.68 -44.55 93.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -171.68 -177.86 41.64 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.497 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 136.88 34.07 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.637 2.225 . . . . 0.0 112.363 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 81.2 mt -97.17 128.87 44.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.4 t -81.83 -43.06 18.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.854 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 67' ' ' LEU . 4.0 tp10 -155.44 155.35 33.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.878 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' ' HG3' ' A' ' 66' ' ' GLU . 18.9 tp -136.04 144.54 45.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.911 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -138.68 108.12 6.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.442 ' HD1' ' HB2' ' A' ' 82' ' ' ALA . 2.2 t80 -125.67 93.49 44.37 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.636 0.731 . . . . 0.0 110.897 -179.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.513 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 53.1 Cg_endo -69.79 144.18 53.08 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.697 2.265 . . . . 0.0 112.339 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 4.7 mm -139.12 128.16 29.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.158 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -54.39 140.9 32.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.7 m -84.23 -11.12 57.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.1 mt -101.45 -54.48 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.934 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -80.71 -23.78 39.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 29.9 mmtt 68.59 30.56 5.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 7.9 ptpt -139.66 153.65 70.41 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.578 0.704 . . . . 0.0 110.897 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 157.13 61.45 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.687 2.258 . . . . 0.0 112.364 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.468 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 0.0 OUTLIER -84.02 -6.49 59.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.904 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 96.63 39.26 4.2 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.513 ' CE1' ' HG3' ' A' ' 70' ' ' PRO . 11.2 p90 -160.7 145.55 14.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.885 0.374 . . . . 0.0 110.866 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.442 ' HB2' ' HD1' ' A' ' 69' ' ' TYR . . . -152.3 173.59 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.06 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 41.7 m-85 -127.33 108.79 11.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 58' ' ' PHE . 30.7 t -102.8 118.97 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -117.06 108.37 15.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.467 ' N ' ' O ' ' A' ' 38' ' ' GLY . 88.7 m-85 -77.25 161.16 28.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.452 ' HA ' ' CE ' ' A' ' 87' ' ' MET . 0.0 OUTLIER -66.83 -44.61 80.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.838 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 15.5 m-85 -117.3 142.16 29.77 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.649 0.738 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.423 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.78 -22.81 31.46 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 16.4 pt-20 -65.2 -46.52 80.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.46 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 36.6 m170 -68.3 -44.85 74.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -46.47 -34.8 5.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.072 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 89' ' ' PRO . 97.0 t -65.93 -49.44 76.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.099 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 51.3 tttt -50.52 -45.32 56.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.54 -53.55 33.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.488 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 2.9 t80 -54.7 -22.14 12.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.91 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -82.83 -39.17 22.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.072 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -89.64 -59.96 2.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.523 HG13 ' NE2' ' A' ' 102' ' ' GLN . 93.3 t -44.95 -56.9 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.186 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -44.85 97.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 107.95 22.68 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.512 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.524 HE22 HD11 ' A' ' 57' ' ' LEU . 10.8 pt20 -108.82 155.0 21.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.854 0.359 . . . . 0.0 110.939 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -101.46 134.66 41.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.094 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.513 ' HB2' HD11 ' A' ' 109' ' ' LEU . 41.5 t80 -132.41 100.02 4.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 63.84 37.93 9.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 73.52 30.78 61.7 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.504 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -129.47 114.78 16.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.892 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -64.91 96.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.513 HD11 ' HB2' ' A' ' 104' ' ' PHE . 53.1 mt -71.48 133.57 45.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 14.2 m170 -119.87 112.86 19.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.492 HG21 ' CG1' ' A' ' 99' ' ' VAL . 13.4 t -106.27 138.24 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.111 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 13.9 mt -138.43 143.7 39.65 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.642 0.734 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.68 2.253 . . . . 0.0 112.408 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.486 ' HB3' ' CD ' ' A' ' 39' ' ' ARG . 1.6 t -133.39 157.95 44.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 35.3 p -147.84 158.05 43.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.166 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 50.1 mm -80.98 131.24 34.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.181 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -88.66 48.69 1.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -44.99 148.83 0.51 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.898 179.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -117.31 42.32 2.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -96.51 84.96 3.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.063 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 79.3 p -82.88 40.6 0.69 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -165.18 170.79 14.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.889 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 10.8 t -148.66 149.13 30.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.849 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 97.64 123.39 4.65 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.456 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 133.2 24.97 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.685 2.257 . . . . 0.0 112.306 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.4 t -124.97 125.67 44.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 128' ' ' GLY . 7.9 t -149.86 146.54 27.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.849 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.43 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.448 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 t -139.65 128.33 23.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.376 . . . . 0.0 110.828 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 16.2 m -62.63 -47.16 84.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.889 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.72 136.57 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.457 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.0 p -116.55 27.15 9.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.884 0.373 . . . . 0.0 110.895 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.6 m -154.16 110.13 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 157.92 -85.51 0.13 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.505 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.8 t -169.85 148.2 3.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.819 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 38.71 3.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CZ ' ' CB ' ' A' ' 39' ' ' ARG . 1.5 ttp-105 -85.14 150.28 24.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.841 0.353 . . . . 0.0 110.898 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.527 HD11 ' O ' ' A' ' 92' ' ' ALA . 52.6 mt -141.98 146.04 35.15 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.943 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.578 ' CD1' ' CZ ' ' A' ' 83' ' ' PHE . 35.9 t80 -95.15 122.09 37.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.9 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 48.8 t -122.08 142.87 36.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.144 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 19.6 ptt180 -141.97 177.91 7.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.49 ' ND2' ' O ' ' A' ' 108' ' ' MET . 4.2 t30 68.58 53.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.929 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.016 HD11 HD21 ' A' ' 54' ' ' LEU . 4.5 mm? -97.29 121.04 38.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.4 t -66.99 127.66 33.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -48.68 -35.96 15.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.936 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 31.9 p -57.79 -31.88 66.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.119 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 60.0 m -73.37 143.83 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.2 m -114.85 155.92 25.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.856 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -42.8 -47.48 5.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -54.5 -47.49 72.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.93 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -52.66 -46.79 67.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 1.016 HD21 HD11 ' A' ' 45' ' ' LEU . 39.1 mt -61.9 -46.77 87.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.939 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.425 ' O ' ' CB ' ' A' ' 59' ' ' SER . 43.4 mt-10 -49.17 -52.68 25.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.456 ' HD2' ' N ' ' A' ' 56' ' ' LYS . 0.7 OUTLIER -63.52 -53.82 45.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.865 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.0 tp -41.96 -63.47 0.73 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.584 ' CE2' HG21 ' A' ' 84' ' ' VAL . 65.1 m-85 -66.46 -47.19 73.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.425 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 2.6 t -38.99 -40.53 0.67 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -46.36 -46.44 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -65.28 -35.17 80.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 175.87 179.69 46.52 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.509 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 125.18 11.84 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.739 2.293 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 72.6 mt -81.64 129.49 34.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 t -81.51 -45.07 16.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -158.77 136.16 10.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.907 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.412 HD22 ' CG ' ' A' ' 55' ' ' GLU . 14.0 tp -117.94 141.47 48.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.941 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -126.22 102.04 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.872 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -116.88 93.54 41.87 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.623 0.725 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.478 ' HG3' ' CE1' ' A' ' 81' ' ' PHE . 54.1 Cg_endo -69.73 136.92 34.31 Favored 'Trans proline' 0 C--O 1.232 0.2 0 C-N-CA 122.651 2.234 . . . . 0.0 112.402 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.439 HG23 ' C ' ' A' ' 77' ' ' LYS . 5.7 mm -139.72 129.11 28.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.125 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -57.73 152.27 15.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.859 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.451 ' C ' HD13 ' A' ' 74' ' ' LEU . 9.6 t -89.41 -19.21 25.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.892 -179.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.811 ' H ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -88.58 -62.79 1.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.914 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.0 p -75.92 -20.41 58.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.142 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 62.69 35.56 14.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.439 ' C ' HG23 ' A' ' 71' ' ' ILE . 77.1 mttt -141.05 155.24 68.68 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.581 0.705 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 141.34 44.9 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.721 2.281 . . . . 0.0 112.325 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.493 ' HB2' ' CE2' ' A' ' 81' ' ' PHE . 25.6 mttt -67.68 -22.55 65.28 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.919 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 117.79 34.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.493 ' CE2' ' HB2' ' A' ' 79' ' ' LYS . 42.4 p90 -159.91 151.9 20.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.931 0.396 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -159.08 176.83 11.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.578 ' CZ ' ' CD1' ' A' ' 41' ' ' PHE . 32.3 m-85 -135.35 121.73 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.884 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.584 HG21 ' CE2' ' A' ' 58' ' ' PHE . 60.3 t -105.64 130.65 56.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.134 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -116.24 110.13 18.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.185 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.2 m-85 -87.87 134.38 33.71 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 21.1 ttm -52.36 -49.0 65.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.818 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 m-85 -101.45 143.99 27.7 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.597 0.713 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.72 -35.5 12.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.686 2.257 . . . . 0.0 112.347 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.453 ' C ' ' OE1' ' A' ' 90' ' ' GLU . 0.0 OUTLIER -63.7 -34.24 77.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.453 ' N ' ' HG3' ' A' ' 90' ' ' GLU . 54.1 m170 -70.87 -40.73 72.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.847 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.527 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -60.51 -37.06 79.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.072 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 75.2 t -68.54 -50.44 56.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 14.2 tttp -51.62 -44.43 62.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.935 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.42 -48.6 69.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.446 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 4.6 t80 -57.89 -17.8 18.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.892 -179.798 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -89.3 -27.44 20.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.113 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -100.27 -59.24 1.74 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.99 HG13 ' NE2' ' A' ' 102' ' ' GLN . 62.0 t -48.1 -56.66 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.145 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -44.15 96.24 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.856 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 110.63 21.16 6.94 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.99 ' NE2' HG13 ' A' ' 99' ' ' VAL . 8.3 pt20 -109.24 133.26 53.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.83 0.347 . . . . 0.0 110.92 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 108' ' ' MET . 86.5 t -84.99 138.49 19.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.463 ' HB2' HD11 ' A' ' 109' ' ' LEU . 21.9 t80 -138.25 111.93 8.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 52.2 mm-40 59.79 34.15 21.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.878 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 77.8 28.67 56.47 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.439 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 -138.36 111.79 8.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.866 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.49 ' O ' ' ND2' ' A' ' 44' ' ' ASN . 9.6 mtp -63.07 111.06 2.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.463 HD11 ' HB2' ' A' ' 104' ' ' PHE . 66.9 mt -79.92 125.86 30.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.927 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . . . . . . . . . 12.7 m170 -107.71 139.78 41.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.827 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.3 t -128.44 147.41 32.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.5 mt -146.79 144.39 20.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.602 0.715 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 132.44 23.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.704 2.269 . . . . 0.0 112.358 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 23.3 t -133.06 115.85 15.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.842 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 22.3 p -123.04 175.48 6.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 77.7 mt -76.84 130.07 36.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.15 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . . . . . . . . . 11.6 ttmm -100.0 105.05 16.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.9 131.26 22.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -126.89 94.81 4.13 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -171.02 127.03 0.7 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.111 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 8.2 t -116.28 86.56 2.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 67.2 mm-40 -140.38 140.05 35.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 57.5 p -131.16 162.61 29.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 179.27 83.07 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.452 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 113.13 3.28 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.611 2.207 . . . . 0.0 112.366 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 58.0 p -74.63 -58.83 3.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.815 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 75.6 p -50.77 130.75 25.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.833 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.531 -179.981 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -92.65 137.23 32.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 49.1 m -132.66 113.34 12.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.836 -179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.51 -168.72 41.1 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.506 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.9 t -95.93 159.48 14.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 0.0 110.857 -179.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 86.8 p -82.56 112.88 19.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.866 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -165.54 -73.88 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 10.2 t -131.53 133.19 44.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.899 0.38 . . . . 0.0 110.888 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -85.31 35.62 3.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.524 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -88.82 136.45 33.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.872 0.367 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.626 HD11 ' O ' ' A' ' 92' ' ' ALA . 30.5 mt -131.54 160.54 34.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.5 t80 -105.32 124.52 49.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.506 HG21 ' CZ ' ' A' ' 58' ' ' PHE . 11.2 t -121.2 146.45 26.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.145 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' CG ' ' HB2' ' A' ' 110' ' ' HIS . 5.9 ptp180 -142.96 -176.91 5.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.829 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' MET . 4.2 m120 64.0 39.79 7.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 54' ' ' LEU . 6.4 mt -86.87 112.24 21.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 7.5 p -55.42 131.77 46.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -52.62 -24.61 8.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 16.2 p -71.31 -34.83 70.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.141 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 29.7 t -55.19 145.49 21.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.4 m -115.88 150.15 37.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.816 -179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.4 tt0 -45.6 -33.9 3.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 20.8 tp10 -70.89 -58.72 3.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.883 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -41.09 -44.76 2.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.915 HD21 HD21 ' A' ' 45' ' ' LEU . 31.3 mt -63.61 -53.9 44.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.515 ' CG ' HD22 ' A' ' 67' ' ' LEU . 28.1 mt-10 -40.63 -38.46 0.89 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.8 mtmt -78.89 -41.62 29.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.496 HD11 HE22 ' A' ' 102' ' ' GLN . 14.8 tp -49.47 -57.16 7.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.506 ' CZ ' HG21 ' A' ' 42' ' ' VAL . 89.0 m-85 -74.57 -49.44 21.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.482 ' CB ' ' O ' ' A' ' 55' ' ' GLU . 6.1 t -36.48 -37.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.816 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -52.2 -49.78 63.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 89.7 m-85 -61.12 -34.31 74.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.938 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . 179.32 177.34 47.66 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.695 -0.765 . . . . 0.0 112.455 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 113.01 3.23 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.696 2.264 . . . . 0.0 112.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD21 ' CB ' ' A' ' 58' ' ' PHE . 62.5 mt -70.6 140.86 51.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.7 t -94.76 -41.91 9.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.84 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -163.6 130.23 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 55' ' ' GLU . 13.6 tp -107.7 148.21 29.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.952 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.572 ' O ' ' HB1' ' A' ' 82' ' ' ALA . 9.5 t-80 -132.92 100.91 5.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.892 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.598 ' CE2' HD11 ' A' ' 71' ' ' ILE . 5.9 t80 -110.57 97.62 33.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.687 0.756 . . . . 0.0 110.896 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.424 ' HD3' ' ND1' ' A' ' 68' ' ' HIS . 54.0 Cg_endo -69.78 138.14 37.05 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.683 2.255 . . . . 0.0 112.33 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.598 HD11 ' CE2' ' A' ' 69' ' ' TYR . 10.4 mm -144.4 125.12 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.42 ' CG ' ' HE3' ' A' ' 79' ' ' LYS . 3.8 m-20 -58.53 133.61 55.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.894 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 1.7 t -79.98 -4.24 51.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 25.4 mt -98.36 -56.25 2.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.862 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 6.6 p -89.38 -11.66 42.6 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 62.4 mmtt 61.03 29.2 18.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.888 179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 46.3 mttm -135.79 146.98 59.34 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.586 0.708 . . . . 0.0 110.867 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.526 ' HB3' HD13 ' A' ' 71' ' ' ILE . 54.2 Cg_endo -69.75 156.46 63.3 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.744 2.296 . . . . 0.0 112.322 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.42 ' HE3' ' CG ' ' A' ' 72' ' ' ASP . 6.3 mptt -86.61 -7.61 58.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.874 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 100.18 38.14 3.64 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.499 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -160.29 152.49 20.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.86 0.362 . . . . 0.0 110.913 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.572 ' HB1' ' O ' ' A' ' 68' ' ' HIS . . . -160.86 178.41 9.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.106 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -131.0 122.8 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG21 ' CE2' ' A' ' 58' ' ' PHE . 17.6 t -109.86 124.5 66.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.072 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.6 m -111.44 102.67 11.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.156 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -77.67 157.78 30.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.6 mtp -74.64 -45.19 46.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.907 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 17.7 m-85 -110.91 143.87 29.17 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.656 0.741 . . . . 0.0 110.84 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.507 ' O ' HG23 ' A' ' 93' ' ' VAL . 53.6 Cg_endo -69.75 -27.07 26.99 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 2.256 . . . . 0.0 112.352 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLU . . . . . 0.435 ' HG3' ' CD2' ' A' ' 91' ' ' HIS . 8.6 pt-20 -61.15 -50.85 71.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.435 ' CD2' ' HG3' ' A' ' 90' ' ' GLU . 16.9 m170 -64.59 -41.53 96.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.849 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.626 ' O ' HD11 ' A' ' 40' ' ' LEU . . . -51.57 -33.22 31.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.13 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.507 HG23 ' O ' ' A' ' 89' ' ' PRO . 62.1 t -78.14 -50.83 18.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -50.67 -43.57 57.42 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.03 -47.14 78.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.122 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' TYR . . . . . 0.412 ' CD1' ' O ' ' A' ' 96' ' ' TYR . 5.3 t80 -61.84 -20.95 64.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.922 -179.832 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -83.71 -36.77 23.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.086 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -91.35 -58.87 2.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.897 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.609 HG13 ' NE2' ' A' ' 102' ' ' GLN . 77.6 t -45.8 -61.22 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -43.15 94.39 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 116.01 25.18 3.67 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.46 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.609 ' NE2' HG13 ' A' ' 99' ' ' VAL . 15.8 pt20 -118.54 145.58 45.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 110.902 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 90.9 t -93.19 142.98 12.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.13 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.533 ' HB2' HD11 ' A' ' 109' ' ' LEU . 11.8 t80 -137.37 115.98 12.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.9 mt-30 51.61 30.46 6.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.914 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 81.74 30.54 35.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.53 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 8.0 mmt180 -133.51 115.1 14.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.837 0.351 . . . . 0.0 110.866 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' MET . . . . . 0.5 ' O ' ' CB ' ' A' ' 44' ' ' ASN . 0.0 OUTLIER -64.96 100.16 0.4 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.533 HD11 ' HB2' ' A' ' 104' ' ' PHE . 81.6 mt -75.4 129.04 36.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' HIS . . . . . 0.485 ' CD2' ' SD ' ' A' ' 108' ' ' MET . 14.0 m170 -115.7 115.22 25.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.513 HG21 ' CG1' ' A' ' 99' ' ' VAL . 12.1 t -104.45 144.85 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 15.2 mt -145.54 151.92 48.08 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.64 0.733 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 133.2 25.08 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.335 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.8 t -91.73 139.52 30.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 117' ' ' LYS . 70.1 p -146.1 142.59 28.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.157 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.657 ' H ' HD12 ' A' ' 116' ' ' ILE . 5.2 mp -55.9 84.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.116 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 115' ' ' THR . 1.7 ttmp? 33.99 37.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.898 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.423 ' N ' ' O ' ' A' ' 116' ' ' ILE . 33.9 tttt -103.15 124.45 48.61 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -128.9 90.04 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ALA . . . . . . . . . . . . . . . -160.18 158.93 30.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.134 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 90.3 p -63.35 130.13 43.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.846 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 18.1 pt20 -135.37 141.49 45.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.931 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 52.3 p -165.76 142.95 5.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLY . . . . . . . . . . . . . . . 88.09 145.6 10.81 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.515 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 178.36 4.66 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.662 2.242 . . . . 0.0 112.321 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.2 m -123.01 113.5 19.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.449 ' O ' ' C ' ' A' ' 128' ' ' GLY . 30.2 t -117.98 120.79 38.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.879 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 127' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.469 -179.993 . . . . . . . . 1 1 . 1 stop_ save_